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

C16H16N2O4S — CID 20858997

IUPACN-(3,4-dimethylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1C
InChIInChI=1S/C16H16N2O4S/c1-10-4-5-12(8-11(10)2)17-23(20,21)13-6-7-14-15(9-13)22-16(19)18(14)3/h4-9,17H,1-3H3
InChIKeyWOHFPYQPLYBUJX-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.55
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 20858997) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID20858997
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-(3,4-dimethylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1C
InChIInChI=1S/C16H16N2O4S/c1-10-4-5-12(8-11(10)2)17-23(20,21)13-6-7-14-15(9-13)22-16(19)18(14)3/h4-9,17H,1-3H3
InChIKeyWOHFPYQPLYBUJX-UHFFFAOYSA-N
XLogP2.55
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]acetamide
CID 50919367
3-Methyl-2-oxo-N-phenyl-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 564213
N-(2-Fluorophenyl)-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 611342
N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 728803
3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 9551425
N-[4-(3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonylamino)-phenyl]-acetamide
CID 1093454
N,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide
CID 1093455
3-Methyl-6-(4-methyl-piperidine-1-sulfonyl)-3H-benzooxazol-2-one
CID 1093465
N-cyclohexyl-N-methyl-2-oxo-2,3-dihydrobenzo[d]oxazole-6-sulfonamide
CID 1828480
6-(2,3-Dihydroindol-1-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one
CID 1965778
3-Methyl-6-(piperidine-1-sulfonyl)-3H-benzooxazol-2-one
CID 1083176
N-cyclopentyl-2-[6-(2,3-dihydroindol-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 5309751

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 20858997) is N-(3,4-dimethylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is WOHFPYQPLYBUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-10-4-5-12(8-11(10)2)17-23(20,21)13-6-7-14-15(9-13)22-16(19)18(14)3/h4-9,17H,1-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-(3,4-dimethylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 332.38 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 20858997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).