N-(2-chloro-5-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide

C17H13ClN2O4S — CID 75479712

IUPACN-(2-chloro-5-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3cnco3)cc2)c1
InChIInChI=1S/C17H13ClN2O4S/c1-25(22,23)13-6-7-14(18)15(8-13)20-17(21)12-4-2-11(3-5-12)16-9-19-10-24-16/h2-10H,1H3,(H,20,21)
InChIKeyAZPKMUJPHLJVEJ-UHFFFAOYSA-N
MW376.82 g/mol
LogP3.65
Rot. Bonds4

About N-(2-chloro-5-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide

N-(2-chloro-5-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide (PubChem CID 75479712) has the molecular formula C17H13ClN2O4S and a molecular weight of 376.82 g/mol. Its IUPAC name is N-(2-chloro-5-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide
PubChem CID75479712
Molecular FormulaC17H13ClN2O4S
Molecular Weight376.82 g/mol
Exact Mass376.03
IUPAC NameN-(2-chloro-5-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide
SMILESCS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3cnco3)cc2)c1
InChIInChI=1S/C17H13ClN2O4S/c1-25(22,23)13-6-7-14(18)15(8-13)20-17(21)12-4-2-11(3-5-12)16-9-19-10-24-16/h2-10H,1H3,(H,20,21)
InChIKeyAZPKMUJPHLJVEJ-UHFFFAOYSA-N
XLogP3.65
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-methylsulfonyl-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 87046723
N-(2-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide
CID 75461935
N-(2-chloro-5-methylsulfonylphenyl)benzamide
CID 8913636
2-chloro-N-(2-chloro-5-methylsulfonylphenyl)furan-3-carboxamide
CID 106685589
5-(4-acetylphenyl)-N-(2-chloro-5-methylsulfonylphenyl)furan-2-carboxamide
CID 91332833
N-(2-chloro-5-methylsulfonylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973961
3,4-dichloro-N-(2-methyl-5-methylsulfonylphenyl)benzamide
CID 27990929
N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide
CID 8913728
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide
CID 55819813
4-chloro-3-[(4-phenylbenzoyl)amino]benzenesulfonic acid
CID 139946841
N-(2-chloro-5-methylsulfonylphenyl)-6-methylpyridine-2-carboxamide
CID 31930381
1-[4-(1,3-oxazol-5-yl)phenyl]ethanone
CID 22316930

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide?
The IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide (CID 75479712) is N-(2-chloro-5-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide.
What is the SMILES notation for N-(2-chloro-5-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide?
The canonical SMILES for N-(2-chloro-5-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide is CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3cnco3)cc2)c1.
What is the InChIKey of N-(2-chloro-5-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide?
The InChIKey is AZPKMUJPHLJVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4S/c1-25(22,23)13-6-7-14(18)15(8-13)20-17(21)12-4-2-11(3-5-12)16-9-19-10-24-16/h2-10H,1H3,(H,20,21).
What are the key properties of N-(2-chloro-5-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide?
N-(2-chloro-5-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide has a molecular weight of 376.82 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide is sourced from PubChem (CID 75479712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).