2-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzamide

C19H15ClN2OS — CID 2728417

IUPAC2-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzamide
SMILESCc1ccc(Sc2ncccc2NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H15ClN2OS/c1-13-8-10-14(11-9-13)24-19-17(7-4-12-21-19)22-18(23)15-5-2-3-6-16(15)20/h2-12H,1H3,(H,22,23)
InChIKeyALJLVTZYMRNUQP-UHFFFAOYSA-N
MW354.86 g/mol
LogP5.45
Rot. Bonds4

About 2-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzamide

2-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzamide (PubChem CID 2728417) has the molecular formula C19H15ClN2OS and a molecular weight of 354.86 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzamide
PubChem CID2728417
Molecular FormulaC19H15ClN2OS
Molecular Weight354.86 g/mol
Exact Mass354.06
IUPAC Name2-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzamide
SMILESCc1ccc(Sc2ncccc2NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H15ClN2OS/c1-13-8-10-14(11-9-13)24-19-17(7-4-12-21-19)22-18(23)15-5-2-3-6-16(15)20/h2-12H,1H3,(H,22,23)
InChIKeyALJLVTZYMRNUQP-UHFFFAOYSA-N
XLogP5.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.86
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]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

Vismodegib
CID 24776445
2-chloro-N-(pyridin-3-yl)benzamide
CID 587129
N-(6-chloro-3-pyridinyl)-4-phenylbenzamide
CID 9904722
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 10450827
2-chloro-5-[(3-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 11682482
N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfonyl)benzamide
CID 18378784
N-(6-chloro-3-pyridinyl)-3-fluoro-4-(2-methylpropylsulfanyl)benzamide
CID 18378796
N-(6-chloro-3-pyridinyl)-3-fluoro-4-[(4-fluorophenyl)methylsulfonyl]benzamide
CID 18378797
N-(2-aminophenyl)-4-(pyridin-2-ylsulfanylmethyl)benzamide
CID 20786052
2-chloro-5-[(3-methylbenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 44561838
2-Chloro-5-(3-fluoro-benzoylamino)-N-pyridin-3-yl-benzamide
CID 44561875
2-Chloro-5-(3-dimethylamino-benzoylamino)-N-pyridin-3-yl-benzamide
CID 44561878

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzamide (CID 2728417) is 2-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzamide is Cc1ccc(Sc2ncccc2NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzamide?
The InChIKey is ALJLVTZYMRNUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2OS/c1-13-8-10-14(11-9-13)24-19-17(7-4-12-21-19)22-18(23)15-5-2-3-6-16(15)20/h2-12H,1H3,(H,22,23).
What are the key properties of 2-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzamide?
2-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzamide has a molecular weight of 354.86 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]benzamide is sourced from PubChem (CID 2728417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).