4-chloro-3-methylsulfonyl-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide

C17H13ClN2O4S — CID 87046723

IUPAC4-chloro-3-methylsulfonyl-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
SMILESCS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3cnco3)cc2)ccc1Cl
InChIInChI=1S/C17H13ClN2O4S/c1-25(22,23)16-8-12(4-7-14(16)18)17(21)20-13-5-2-11(3-6-13)15-9-19-10-24-15/h2-10H,1H3,(H,20,21)
InChIKeyPQFHWESGUJNZSK-UHFFFAOYSA-N
MW376.82 g/mol
LogP3.65
Rot. Bonds4

About 4-chloro-3-methylsulfonyl-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide

4-chloro-3-methylsulfonyl-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide (PubChem CID 87046723) has the molecular formula C17H13ClN2O4S and a molecular weight of 376.82 g/mol. Its IUPAC name is 4-chloro-3-methylsulfonyl-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-methylsulfonyl-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
PubChem CID87046723
Molecular FormulaC17H13ClN2O4S
Molecular Weight376.82 g/mol
Exact Mass376.03
IUPAC Name4-chloro-3-methylsulfonyl-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
SMILESCS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3cnco3)cc2)ccc1Cl
InChIInChI=1S/C17H13ClN2O4S/c1-25(22,23)16-8-12(4-7-14(16)18)17(21)20-13-5-2-11(3-6-13)15-9-19-10-24-15/h2-10H,1H3,(H,20,21)
InChIKeyPQFHWESGUJNZSK-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

N-(2-chloro-5-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide
CID 75479712
N-(2-methylsulfonylphenyl)-4-(1,3-oxazol-5-yl)benzamide
CID 75461935
4-chloro-N-[4-(dimethylamino)phenyl]-3-methylsulfonylbenzamide
CID 78776424
4-chloro-3-methylsulfonyl-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134009371
3-iodo-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 60810765
4-chloro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide
CID 39862672
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(1,3-oxazol-5-yl)benzamide
CID 55819813
4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide
CID 26699911
N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide
CID 26691813
2,2-dimethyl-N-[4-(1,3-oxazol-5-yl)phenyl]propanamide
CID 2806322
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1,3-oxazol-5-yl)benzamide
CID 47049817
4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide
CID 55466634

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methylsulfonyl-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-3-methylsulfonyl-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide (CID 87046723) is 4-chloro-3-methylsulfonyl-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-methylsulfonyl-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-methylsulfonyl-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide is CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3cnco3)cc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methylsulfonyl-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide?
The InChIKey is PQFHWESGUJNZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4S/c1-25(22,23)16-8-12(4-7-14(16)18)17(21)20-13-5-2-11(3-6-13)15-9-19-10-24-15/h2-10H,1H3,(H,20,21).
What are the key properties of 4-chloro-3-methylsulfonyl-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide?
4-chloro-3-methylsulfonyl-N-[4-(1,3-oxazol-5-yl)phenyl]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 4-chloro-3-methylsulfonyl-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 87046723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).