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CAS 6630-10-0 N-[4-(4-CHLORO-BENZENESULFONYL)-PHENYL]-ACETAMIDE molecular structure lightbox
CAS RN: 6630-10-0

N-[4-(4-CHLORO-BENZENESULFONYL)-PHENYL]-ACETAMIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250213 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS6630-10-0
  • Purity/Analytical Methods: >99.0%
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6630-10-0 / N-[4-(4-chlorophenyl)sulfonylphenyl]acetamide

Standard CAS: 6630-10-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6630-10-0
Multi CAS
Yes
Molecular Formula
C14H12CLNO3S
Molecular Weight
309.800000
Exact Mass
309.022642
InChI
InChI=1S/C14H12ClNO3S/c1-10(17)16-12-4-8-14(9-5-12)20(18,19)13-6-2-11(15)3-7-13/h2-9H,1H3,(H,16,17)
InChIKey
HJVPWOGNIQFJIG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
77.65
TPSA
63.24

LogP / Solubility

WLOGP
3.13
MLOGP
2.77
XLogP3
2.9
Consensus LogP
2.93
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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