2-chloro-N-(5-methyl-3-pyridinyl)-5-sulfanylbenzamide

C13H11ClN2OS — CID 107587050

IUPAC2-chloro-N-(5-methyl-3-pyridinyl)-5-sulfanylbenzamide
SMILESCc1cncc(NC(=O)c2cc(S)ccc2Cl)c1
InChIInChI=1S/C13H11ClN2OS/c1-8-4-9(7-15-6-8)16-13(17)11-5-10(18)2-3-12(11)14/h2-7,18H,1H3,(H,16,17)
InChIKeyXKHUEKPYAWXXEQ-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.58
Rot. Bonds2

About 2-chloro-N-(5-methyl-3-pyridinyl)-5-sulfanylbenzamide

2-chloro-N-(5-methyl-3-pyridinyl)-5-sulfanylbenzamide (PubChem CID 107587050) has the molecular formula C13H11ClN2OS and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-3-pyridinyl)-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-3-pyridinyl)-5-sulfanylbenzamide
PubChem CID107587050
Molecular FormulaC13H11ClN2OS
Molecular Weight278.76 g/mol
Exact Mass278.03
IUPAC Name2-chloro-N-(5-methyl-3-pyridinyl)-5-sulfanylbenzamide
SMILESCc1cncc(NC(=O)c2cc(S)ccc2Cl)c1
InChIInChI=1S/C13H11ClN2OS/c1-8-4-9(7-15-6-8)16-13(17)11-5-10(18)2-3-12(11)14/h2-7,18H,1H3,(H,16,17)
InChIKeyXKHUEKPYAWXXEQ-UHFFFAOYSA-N
XLogP3.58
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-chloro-6-(methylamino)-N-(5-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 107586618
2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107021003
2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 103738978
1-chloro-N-(5-methyl-3-pyridinyl)isoquinoline-4-carboxamide
CID 106831970
2,5-dibromo-N-(5-methyl-3-pyridinyl)thiophene-3-carboxamide
CID 103738893
2-chloro-N-(3,5-dimethoxyphenyl)-5-sulfanylbenzamide
CID 107020390
4-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 110727246
3-fluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103738947
2-chloro-N-(4-methylsulfonylphenyl)-5-sulfanylbenzamide
CID 107021766
5-chloro-N-(5-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 107585014
2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide
CID 107020863
4-hydrazinyl-2-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 107586747

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-3-pyridinyl)-5-sulfanylbenzamide?
The IUPAC name of 2-chloro-N-(5-methyl-3-pyridinyl)-5-sulfanylbenzamide (CID 107587050) is 2-chloro-N-(5-methyl-3-pyridinyl)-5-sulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(5-methyl-3-pyridinyl)-5-sulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(5-methyl-3-pyridinyl)-5-sulfanylbenzamide is Cc1cncc(NC(=O)c2cc(S)ccc2Cl)c1.
What is the InChIKey of 2-chloro-N-(5-methyl-3-pyridinyl)-5-sulfanylbenzamide?
The InChIKey is XKHUEKPYAWXXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2OS/c1-8-4-9(7-15-6-8)16-13(17)11-5-10(18)2-3-12(11)14/h2-7,18H,1H3,(H,16,17).
What are the key properties of 2-chloro-N-(5-methyl-3-pyridinyl)-5-sulfanylbenzamide?
2-chloro-N-(5-methyl-3-pyridinyl)-5-sulfanylbenzamide has a molecular weight of 278.76 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methyl-3-pyridinyl)-5-sulfanylbenzamide is sourced from PubChem (CID 107587050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).