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CAS 10128-51-5 Benzenesulfonamide, N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]- molecular structure lightbox
CAS RN: 10128-51-5

Benzenesulfonamide, N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250316 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS10128-51-5
  • Purity/Analytical Methods: >99.0%
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10128-51-5 / N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide

Benzenesulfonamide, N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]- | N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide | N-(2-(4-Oxo-4H-benzo[d][1,3]oxazin-2-yl)phenyl)benzenesulfonamide

Standard CAS: 10128-51-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10128-51-5
Multi CAS
No
Molecular Formula
C20H14N2O4S
Molecular Weight
378.400000
Exact Mass
378.067428
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4C(=O)O3
InChI
InChI=1S/C20H14N2O4S/c23-20-16-11-5-6-12-17(16)21-19(26-20)15-10-4-7-13-18(15)22-27(24,25)14-8-2-1-3-9-14/h1-13,22H
InChIKey
HFLJZGUOTHQWKM-UHFFFAOYSA-N
Synonyms
Benzenesulfonamide, N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]- N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide N-(2-(4-Oxo-4H-benzo[d][1,3]oxazin-2-yl)phenyl)benzenesulfonamide N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide SMR000161806

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
22
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
102.97
TPSA
89.27

LogP / Solubility

WLOGP
3.66
MLOGP
3.24
XLogP3
3.4
Consensus LogP
3.43
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
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
Yes
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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