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CAS 102649-79-6 SC-10 molecular structure lightbox
CAS RN: 102649-79-6

SC-10

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250919 100mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS102649-79-6
  • Purity/Analytical Methods: >99.0%
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102649-79-6 / 5-chloro-N-heptylnaphthalene-1-sulfonamide

N-(m-Heptyl)-5-chloro-1-naphthalenesulfonamide | N-(N-HEPTYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE | RefChem:926965

Standard CAS: 102649-79-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
102649-79-6
Multi CAS
Yes
Molecular Formula
C17H22ClNO2S
Molecular Weight
339.900000
Exact Mass
339.105978
SMILES
CCCCCCCNS(=O)(=O)C1=CC=CC2=C1C=CC=C2Cl
InChI
InChI=1S/C17H22ClNO2S/c1-2-3-4-5-6-13-19-22(20,21)17-12-8-9-14-15(17)10-7-11-16(14)18/h7-12,19H,2-6,13H2,1H3
InChIKey
MJMJERJFCHYXEM-UHFFFAOYSA-N
Synonyms
N-(m-Heptyl)-5-chloro-1-naphthalenesulfonamide N-(N-HEPTYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE RefChem:926965 sc-10 5-chloro-N-heptylnaphthalene-1-sulfonamide

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.41
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
1
Molar refractivity
92.91
TPSA
46.17

LogP / Solubility

WLOGP
4.74
MLOGP
4.19
XLogP3
5.6
Consensus LogP
4.84
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.77
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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