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CAS 333747-86-7 N-{4-[(1,3-benzodioxol-5-ylamino)sulfonyl]phenyl}acetamide molecular structure lightbox
CAS RN: 333747-86-7

N-{4-[(1,3-benzodioxol-5-ylamino)sulfonyl]phenyl}acetamide

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Batchno.20251209 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS333747-86-7
  • Purity/Analytical Methods: >99.0%
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333747-86-7 / N-[4-(1,3-benzodioxol-5-ylsulfamoyl)phenyl]acetamide

Standard CAS: 333747-86-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
333747-86-7
Multi CAS
No
Molecular Formula
C15H14N2O5S
Molecular Weight
334.300000
Exact Mass
334.062343
InChI
InChI=1S/C15H14N2O5S/c1-10(18)16-11-2-5-13(6-3-11)23(19,20)17-12-4-7-14-15(8-12)22-9-21-14/h2-8,17H,9H2,1H3,(H,16,18)
InChIKey
XISVLIQZABDNTH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
84.12
TPSA
93.73

LogP / Solubility

WLOGP
2.17
MLOGP
1.93
XLogP3
1.4
Consensus LogP
1.83
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
Class (SILICOS-IT)
Slightly soluble

ADME

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

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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