N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide

C9H10N2O4S — CID 83542954

IUPACN,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C9H10N2O4S/c1-10-16(13,14)6-3-4-8-7(5-6)11(2)9(12)15-8/h3-5,10H,1-2H3
InChIKeyZLRKCCVZFAIDAA-UHFFFAOYSA-N
MW242.26 g/mol
LogP0.04
Rot. Bonds2

About N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide

N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide (PubChem CID 83542954) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
PubChem CID83542954
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC NameN,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2oc(=O)n(C)c2c1
InChIInChI=1S/C9H10N2O4S/c1-10-16(13,14)6-3-4-8-7(5-6)11(2)9(12)15-8/h3-5,10H,1-2H3
InChIKeyZLRKCCVZFAIDAA-UHFFFAOYSA-N
XLogP0.04
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyano-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 146025046
3-methyl-2-oxo-N-(2-oxothiolan-3-yl)-1,3-benzoxazole-5-sulfonamide
CID 5312165
N-[(2-fluorophenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 110760792
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122356401
N-(2,5-dimethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 170286220
3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648195
N-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 110760844
3-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,3-benzoxazole-5-sulfonamide
CID 146025056
N-(2-ethoxypyrimidin-5-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122302129
N-[4-(diethylamino)-2-methylphenyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 146025113
N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 146025057
N-(1H-indazol-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 110760854

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide (CID 83542954) is N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide is CNS(=O)(=O)c1ccc2oc(=O)n(C)c2c1.
What is the InChIKey of N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The InChIKey is ZLRKCCVZFAIDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S/c1-10-16(13,14)6-3-4-8-7(5-6)11(2)9(12)15-8/h3-5,10H,1-2H3.
What are the key properties of N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide has a molecular weight of 242.26 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 83542954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).