3-methyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide

C14H12N2O4S — CID 564213

IUPAC3-methyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C14H12N2O4S/c1-16-12-8-7-11(9-13(12)20-14(16)17)21(18,19)15-10-5-3-2-4-6-10/h2-9,15H,1H3
InChIKeyCWWNOYLOZXHNFO-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.93
Rot. Bonds3

About 3-methyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide

3-methyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide (PubChem CID 564213) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide
PubChem CID564213
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name3-methyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C14H12N2O4S/c1-16-12-8-7-11(9-13(12)20-14(16)17)21(18,19)15-10-5-3-2-4-6-10/h2-9,15H,1H3
InChIKeyCWWNOYLOZXHNFO-UHFFFAOYSA-N
XLogP1.93
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N4-Acetyl-N1-(2-methoxyphenyl)sulfanilamide
CID 668310
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-Oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid
CID 7131707
2,3-Dihydro-2-oxobenzoxazole-6-sulphonamide
CID 89878
methyl 2-oxo-5-(piperidin-1-ylsulfonyl)-1,3-benzoxazole-3(2H)-carboxylate
CID 712076
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
6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 3379018

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 3-methyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide (CID 564213) is 3-methyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 3-methyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 3-methyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3)ccc21.
What is the InChIKey of 3-methyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide?
The InChIKey is CWWNOYLOZXHNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-16-12-8-7-11(9-13(12)20-14(16)17)21(18,19)15-10-5-3-2-4-6-10/h2-9,15H,1H3.
What are the key properties of 3-methyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide?
3-methyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide has a molecular weight of 304.33 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 564213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).