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

C15H12N2O5S — CID 37095710

IUPAC3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)c1
InChIInChI=1S/C15H12N2O5S/c1-23(20,21)11-4-2-3-9(7-11)14(18)16-10-5-6-13-12(8-10)17-15(19)22-13/h2-8H,1H3,(H,16,18)(H,17,19)
InChIKeyBXVFFBFDOGOEMO-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.78
Rot. Bonds3

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

3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (PubChem CID 37095710) has the molecular formula C15H12N2O5S and a molecular weight of 332.34 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
PubChem CID37095710
Molecular FormulaC15H12N2O5S
Molecular Weight332.34 g/mol
Exact Mass332.05
IUPAC Name3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)c1
InChIInChI=1S/C15H12N2O5S/c1-23(20,21)11-4-2-3-9(7-11)14(18)16-10-5-6-13-12(8-10)17-15(19)22-13/h2-8H,1H3,(H,16,18)(H,17,19)
InChIKeyBXVFFBFDOGOEMO-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-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 38466362
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(propylsulfonylamino)benzamide
CID 37155913
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 110607906
2-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019980
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466226
3,4-dimethyl-5-(methylsulfamoyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38467012
4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466944
3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019844
1-oxido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridin-1-ium-4-carboxamide
CID 38466723
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide
CID 38467191

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (CID 37095710) is 3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is CS(=O)(=O)c1cccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)c1.
What is the InChIKey of 3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is BXVFFBFDOGOEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5S/c1-23(20,21)11-4-2-3-9(7-11)14(18)16-10-5-6-13-12(8-10)17-15(19)22-13/h2-8H,1H3,(H,16,18)(H,17,19).
What are the key properties of 3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
3-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 3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 37095710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).