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CAS 104295-55-8 2-Naphthylamine-6-sulfonmethylamide molecular structure lightbox
CAS RN: 104295-55-8

2-Naphthylamine-6-sulfonmethylamide

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250126 1g In stock Shandong Inquiry
Batchno.20260524 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS104295-55-8
  • Purity/Analytical Methods: >99.0%
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104295-55-8 / 6-amino-N-methylnaphthalene-2-sulfonamide

6-amino-N-methylnaphthalene-2-sulfonamide | 2-Naphthalenesulfonamide, 6-amino-N-methyl- | DTXSID70888817

Standard CAS: 104295-55-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104295-55-8
Multi CAS
Yes
Molecular Formula
C11H12N2O2S
Molecular Weight
236.290000
Exact Mass
236.061949
SMILES
CNS(=O)(=O)C1=CC2=C(C=C1)C=C(C=C2)N
InChI
InChI=1S/C11H12N2O2S/c1-13-16(14,15)11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7,13H,12H2,1H3
InChIKey
RBQODZRXIYFUJS-UHFFFAOYSA-N
Synonyms
6-amino-N-methylnaphthalene-2-sulfonamide 2-Naphthalenesulfonamide, 6-amino-N-methyl- DTXSID70888817 EC 412-120-4 RefChem:476675

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.61
TPSA
72.19

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
1.5
Consensus LogP
1.33
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Health Hazard Environmental Hazard
Signal
Warning
GHS Hazard Statements
H317: May cause an allergic skin reaction [Warning Sensitization, Skin] H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P260, P261, P272, P273, P280, P302+P352, P319, P321, P333+P317, P362+P364, P391, and P501

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