N-(4-chloro-3-methylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide

C16H15ClN2O4S — CID 70121145

IUPACN-(4-chloro-3-methylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc3c(cc2C)oc(=O)n3C)ccc1Cl
InChIInChI=1S/C16H15ClN2O4S/c1-9-6-11(4-5-12(9)17)18-24(21,22)15-8-13-14(7-10(15)2)23-16(20)19(13)3/h4-8,18H,1-3H3
InChIKeySCSSVTMYXOWPTB-UHFFFAOYSA-N
MW366.83 g/mol
LogP3.20
Rot. Bonds3

About N-(4-chloro-3-methylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide

N-(4-chloro-3-methylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide (PubChem CID 70121145) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
PubChem CID70121145
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC NameN-(4-chloro-3-methylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc3c(cc2C)oc(=O)n3C)ccc1Cl
InChIInChI=1S/C16H15ClN2O4S/c1-9-6-11(4-5-12(9)17)18-24(21,22)15-8-13-14(7-10(15)2)23-16(20)19(13)3/h4-8,18H,1-3H3
InChIKeySCSSVTMYXOWPTB-UHFFFAOYSA-N
XLogP3.20
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 70124119
N-(3-ethylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 70122231
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110601952
N-(3,4-dimethylphenyl)-1,4,7-trimethyl-2,3-dioxoquinoxaline-6-sulfonamide
CID 20914056
5-chloro-N-[4-(cyanomethyl)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 7647934
5-chloro-2-methoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 20962051
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713260
2,4-dimethyl-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346422
3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 16761701
5,6-dichloro-3-methyl-1,3-benzoxazol-2-one
CID 82184528
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

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide (CID 70121145) is N-(4-chloro-3-methylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide is Cc1cc(NS(=O)(=O)c2cc3c(cc2C)oc(=O)n3C)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The InChIKey is SCSSVTMYXOWPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4S/c1-9-6-11(4-5-12(9)17)18-24(21,22)15-8-13-14(7-10(15)2)23-16(20)19(13)3/h4-8,18H,1-3H3.
What are the key properties of N-(4-chloro-3-methylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
N-(4-chloro-3-methylphenyl)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide has a molecular weight of 366.83 g/mol, XLogP of 3.20, 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)-3,6-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 70121145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).