4-chloro-3-methylsulfonyl-N-(2-phenylpyrimidin-5-yl)benzamide

C18H14ClN3O3S — CID 134009371

IUPAC4-chloro-3-methylsulfonyl-N-(2-phenylpyrimidin-5-yl)benzamide
SMILESCS(=O)(=O)c1cc(C(=O)Nc2cnc(-c3ccccc3)nc2)ccc1Cl
InChIInChI=1S/C18H14ClN3O3S/c1-26(24,25)16-9-13(7-8-15(16)19)18(23)22-14-10-20-17(21-11-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,22,23)
InChIKeyAYKBUHBRYDAQAV-UHFFFAOYSA-N
MW387.85 g/mol
LogP3.45
Rot. Bonds4

About 4-chloro-3-methylsulfonyl-N-(2-phenylpyrimidin-5-yl)benzamide

4-chloro-3-methylsulfonyl-N-(2-phenylpyrimidin-5-yl)benzamide (PubChem CID 134009371) has the molecular formula C18H14ClN3O3S and a molecular weight of 387.85 g/mol. Its IUPAC name is 4-chloro-3-methylsulfonyl-N-(2-phenylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name4-chloro-3-methylsulfonyl-N-(2-phenylpyrimidin-5-yl)benzamide
PubChem CID134009371
Molecular FormulaC18H14ClN3O3S
Molecular Weight387.85 g/mol
Exact Mass387.04
IUPAC Name4-chloro-3-methylsulfonyl-N-(2-phenylpyrimidin-5-yl)benzamide
SMILESCS(=O)(=O)c1cc(C(=O)Nc2cnc(-c3ccccc3)nc2)ccc1Cl
InChIInChI=1S/C18H14ClN3O3S/c1-26(24,25)16-9-13(7-8-15(16)19)18(23)22-14-10-20-17(21-11-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,22,23)
InChIKeyAYKBUHBRYDAQAV-UHFFFAOYSA-N
XLogP3.45
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-3-methylsulfonyl-N-(2-phenylpyrimidin-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide
CID 115629937
4-chloro-3-methylsulfonyl-N-[4-(1,3-oxazol-5-yl)phenyl]benzamide
CID 87046723
4-chloro-N-[4-(dimethylamino)phenyl]-3-methylsulfonylbenzamide
CID 78776424
4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide
CID 55466634
4-chloro-N-(2,6-dimethylphenyl)-3-methylsulfonylbenzamide
CID 26894430
2-chloro-6-methyl-N-(2-phenylpyrimidin-5-yl)pyridine-4-carboxamide
CID 99612025
4-chloro-3-(methyl-methylidene-oxo-λ6-sulfanyl)-N-phenylbenzamide;1,1,1-trifluoroethane
CID 164554077
4-chloro-N-(2,6-difluorophenyl)-3-methylsulfonylbenzamide
CID 51158895
4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide
CID 26699911
N-(4-bromo-3-methylphenyl)-4-chloro-3-methylsulfonylbenzamide
CID 26691813
4-chloro-3-methylsulfonylbenzohydrazide
CID 43091103
N-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 86806955

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methylsulfonyl-N-(2-phenylpyrimidin-5-yl)benzamide?
The IUPAC name of 4-chloro-3-methylsulfonyl-N-(2-phenylpyrimidin-5-yl)benzamide (CID 134009371) is 4-chloro-3-methylsulfonyl-N-(2-phenylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 4-chloro-3-methylsulfonyl-N-(2-phenylpyrimidin-5-yl)benzamide?
The canonical SMILES for 4-chloro-3-methylsulfonyl-N-(2-phenylpyrimidin-5-yl)benzamide is CS(=O)(=O)c1cc(C(=O)Nc2cnc(-c3ccccc3)nc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-methylsulfonyl-N-(2-phenylpyrimidin-5-yl)benzamide?
The InChIKey is AYKBUHBRYDAQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3S/c1-26(24,25)16-9-13(7-8-15(16)19)18(23)22-14-10-20-17(21-11-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,22,23).
What are the key properties of 4-chloro-3-methylsulfonyl-N-(2-phenylpyrimidin-5-yl)benzamide?
4-chloro-3-methylsulfonyl-N-(2-phenylpyrimidin-5-yl)benzamide has a molecular weight of 387.85 g/mol, XLogP of 3.45, 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-(2-phenylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 134009371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).