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

C16H16N2O4S — CID 46346439

IUPACN-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCCCn1c(=O)oc2cc(NS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C16H16N2O4S/c1-2-10-18-14-9-8-12(11-15(14)22-16(18)19)17-23(20,21)13-6-4-3-5-7-13/h3-9,11,17H,2,10H2,1H3
InChIKeyZGEZTDXLRLQSLN-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.81
Rot. Bonds5

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

N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide (PubChem CID 46346439) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
PubChem CID46346439
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
SMILESCCCn1c(=O)oc2cc(NS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C16H16N2O4S/c1-2-10-18-14-9-8-12(11-15(14)22-16(18)19)17-23(20,21)13-6-4-3-5-7-13/h3-9,11,17H,2,10H2,1H3
InChIKeyZGEZTDXLRLQSLN-UHFFFAOYSA-N
XLogP2.81
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346447
2,4-dimethyl-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346422
4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid
CID 110779478
N-[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]phenyl]propanamide
CID 46346366
3-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-methoxybenzenesulfonamide
CID 46346405
1-(4-methylphenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50744018
3-ethyl-N-(3-methylsulfanylphenyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648252
3-propyl-6-sulfanyl-1,3-benzoxazol-2-one
CID 62299003
6-iodo-3-propyl-1,3-benzoxazol-2-one
CID 79787233
1,3-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxobenzimidazole-5-sulfonamide
CID 20962052
1-(4-chlorophenyl)-3-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)urea
CID 50796890
3-ethyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-benzoxazole-6-sulfonamide
CID 92648237

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The IUPAC name of N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide (CID 46346439) is N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The canonical SMILES for N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide is CCCn1c(=O)oc2cc(NS(=O)(=O)c3ccccc3)ccc21.
What is the InChIKey of N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide?
The InChIKey is ZGEZTDXLRLQSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-2-10-18-14-9-8-12(11-15(14)22-16(18)19)17-23(20,21)13-6-4-3-5-7-13/h3-9,11,17H,2,10H2,1H3.
What are the key properties of N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide?
N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide has a molecular weight of 332.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide is sourced from PubChem (CID 46346439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).