2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide

C12H9ClN2OS — CID 725071

IUPAC2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Sc1ccc(Cl)cc1
InChIInChI=1S/C12H9ClN2OS/c13-8-3-5-9(6-4-8)17-12-10(11(14)16)2-1-7-15-12/h1-7H,(H2,14,16)
InChIKeyQLLYWFCCGPTQGT-UHFFFAOYSA-N
MW264.74 g/mol
LogP2.99
Rot. Bonds3

About 2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide

2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide (PubChem CID 725071) has the molecular formula C12H9ClN2OS and a molecular weight of 264.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide
PubChem CID725071
Molecular FormulaC12H9ClN2OS
Molecular Weight264.74 g/mol
Exact Mass264.01
IUPAC Name2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Sc1ccc(Cl)cc1
InChIInChI=1S/C12H9ClN2OS/c13-8-3-5-9(6-4-8)17-12-10(11(14)16)2-1-7-15-12/h1-7H,(H2,14,16)
InChIKeyQLLYWFCCGPTQGT-UHFFFAOYSA-N
XLogP2.99
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)sulfanylpyridine-3-carboxamide
CID 31536570
2-naphthalen-2-ylsulfanylpyridine-3-carboxamide
CID 36557143
2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 24694206
2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylpyridine-3-carboxamide
CID 39997996
N-butan-2-yl-2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide
CID 4784859
2-(4-chlorophenyl)pyridine-3-carboxamide
CID 140983292
2-(4-chlorophenoxy)pyridine-3-carboxamide
CID 2774902
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate
CID 7773688
2-[(3-carbamoyl-2-pyridinyl)sulfanyl]acetic acid
CID 24707226
N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 9097470
[2-(4-chlorophenyl)sulfanyl-3-pyridinyl]methyl N-propan-2-ylcarbamate
CID 1476629
N-(3-chlorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 26086401

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide (CID 725071) is 2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide is NC(=O)c1cccnc1Sc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide?
The InChIKey is QLLYWFCCGPTQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2OS/c13-8-3-5-9(6-4-8)17-12-10(11(14)16)2-1-7-15-12/h1-7H,(H2,14,16).
What are the key properties of 2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide?
2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide has a molecular weight of 264.74 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 725071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).