N-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C15H13ClN2O4S — CID 70124119

IUPACN-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)ccc1Cl
InChIInChI=1S/C15H13ClN2O4S/c1-9-7-10(3-5-12(9)16)17-23(20,21)11-4-6-13-14(8-11)22-15(19)18(13)2/h3-8,17H,1-2H3
InChIKeyRSCHDUMBVNZODR-UHFFFAOYSA-N
MW352.80 g/mol
LogP2.89
Rot. Bonds3

About N-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 70124119) has the molecular formula C15H13ClN2O4S and a molecular weight of 352.80 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID70124119
Molecular FormulaC15H13ClN2O4S
Molecular Weight352.80 g/mol
Exact Mass352.03
IUPAC NameN-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)ccc1Cl
InChIInChI=1S/C15H13ClN2O4S/c1-9-7-10(3-5-12(9)16)17-23(20,21)11-4-6-13-14(8-11)22-15(19)18(13)2/h3-8,17H,1-2H3
InChIKeyRSCHDUMBVNZODR-UHFFFAOYSA-N
XLogP2.89
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-methylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 70121145
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713260
N-[3-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713122
N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713117
1,3-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxobenzimidazole-5-sulfonamide
CID 20962052
3-methyl-N-(2-methyl-4-pyridinyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110756901
3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30782510
3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 20962046
N-(1,3-benzoxazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110728965
N-(1H-indol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110730877
N-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713207
4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfamoyl]benzoic acid
CID 110779478

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 70124119) is N-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is RSCHDUMBVNZODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4S/c1-9-7-10(3-5-12(9)16)17-23(20,21)11-4-6-13-14(8-11)22-15(19)18(13)2/h3-8,17H,1-2H3.
What are the key properties of N-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 352.80 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 70124119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).