N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C13H11N3O4S — CID 82104270

IUPACN-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
InChIInChI=1S/C13H11N3O4S/c14-8-1-3-9(4-2-8)16-21(18,19)10-5-6-11-12(7-10)20-13(17)15-11/h1-7,16H,14H2,(H,15,17)
InChIKeyFHHNCQMWHFAOFM-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.50
Rot. Bonds3

About N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 82104270) has the molecular formula C13H11N3O4S and a molecular weight of 305.31 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID82104270
Molecular FormulaC13H11N3O4S
Molecular Weight305.31 g/mol
Exact Mass305.05
IUPAC NameN-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1
InChIInChI=1S/C13H11N3O4S/c14-8-1-3-9(4-2-8)16-21(18,19)10-5-6-11-12(7-10)20-13(17)15-11/h1-7,16H,14H2,(H,15,17)
InChIKeyFHHNCQMWHFAOFM-UHFFFAOYSA-N
XLogP1.50
TPSA118.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzamide
CID 134055659
N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 24686498
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 92648168
N-(5-chloro-2-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110778576
N-(3-cyclopentyloxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 35547980
N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82345198
N-[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 166184466
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 25326023
3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110350533
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 155962881
N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 108781093
2-oxo-N-(2-oxo-3-propan-2-yl-1,3-dihydroindol-5-yl)-3H-1,3-benzoxazole-6-sulfonamide
CID 110406150

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 82104270) is N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is Nc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is FHHNCQMWHFAOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S/c14-8-1-3-9(4-2-8)16-21(18,19)10-5-6-11-12(7-10)20-13(17)15-11/h1-7,16H,14H2,(H,15,17).
What are the key properties of N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 305.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 82104270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).