3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide

C16H15ClN2O4S — CID 46346447

IUPAC3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCCCn1c(=O)oc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc21
InChIInChI=1S/C16H15ClN2O4S/c1-2-8-19-14-7-6-12(10-15(14)23-16(19)20)18-24(21,22)13-5-3-4-11(17)9-13/h3-7,9-10,18H,2,8H2,1H3
InChIKeyKXWBNVJWUHBAEO-UHFFFAOYSA-N
MW366.83 g/mol
LogP3.46
Rot. Bonds5

About 3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide

3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide (PubChem CID 46346447) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is 3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
PubChem CID46346447
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC Name3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCCCn1c(=O)oc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc21
InChIInChI=1S/C16H15ClN2O4S/c1-2-8-19-14-7-6-12(10-15(14)23-16(19)20)18-24(21,22)13-5-3-4-11(17)9-13/h3-7,9-10,18H,2,8H2,1H3
InChIKeyKXWBNVJWUHBAEO-UHFFFAOYSA-N
XLogP3.46
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide 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-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346439
N-[3-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713122
propyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051968
methyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051808
2,4-dimethyl-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346422
3-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzenesulfonamide
CID 46346405
1-(4-chlorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50796890
3-ethyl-N-(3-methylsulfanylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648252
3-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110721894
3-ethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-benzoxazole-6-sulfonamide
CID 92648237
3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927292
3-chloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3839904

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide (CID 46346447) is 3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide is CCCn1c(=O)oc2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc21.
What is the InChIKey of 3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The InChIKey is KXWBNVJWUHBAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S/c1-2-8-19-14-7-6-12(10-15(14)23-16(19)20)18-24(21,22)13-5-3-4-11(17)9-13/h3-7,9-10,18H,2,8H2,1H3.
What are the key properties of 3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide?
3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide has a molecular weight of 366.83 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 46346447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).