2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide

C15H12N2O5S — CID 134019980

IUPAC2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C15H12N2O5S/c1-23(20,21)13-5-3-2-4-10(13)14(18)16-9-6-7-12-11(8-9)17-15(19)22-12/h2-8H,1H3,(H,16,18)(H,17,19)
InChIKeyBLQGZMLNWQOFAO-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.78
Rot. Bonds3

About 2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide

2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (PubChem CID 134019980) has the molecular formula C15H12N2O5S and a molecular weight of 332.34 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
PubChem CID134019980
Molecular FormulaC15H12N2O5S
Molecular Weight332.34 g/mol
Exact Mass332.05
IUPAC Name2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C15H12N2O5S/c1-23(20,21)13-5-3-2-4-10(13)14(18)16-9-6-7-12-11(8-9)17-15(19)22-12/h2-8H,1H3,(H,16,18)(H,17,19)
InChIKeyBLQGZMLNWQOFAO-UHFFFAOYSA-N
XLogP1.78
TPSA109.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37095710
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenoxybenzamide
CID 38466452
4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 110607906
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(trifluoromethylsulfanyl)benzamide
CID 39568217
2-(difluoromethoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468167
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-4-carboxamide
CID 112525958
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1H-indole-7-carboxamide
CID 112525968
3,4-dimethyl-5-(methylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38467012
N-(4-acetamidophenyl)-2-methylsulfonylbenzamide
CID 8701377
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (CID 134019980) is 2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is CS(=O)(=O)c1ccccc1C(=O)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of 2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is BLQGZMLNWQOFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5S/c1-23(20,21)13-5-3-2-4-10(13)14(18)16-9-6-7-12-11(8-9)17-15(19)22-12/h2-8H,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 332.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 134019980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).