5-chloro-3-phenylsulfanylpyridine-2-carboxamide

C12H9ClN2OS — CID 172625577

IUPAC5-chloro-3-phenylsulfanylpyridine-2-carboxamide
SMILESNC(=O)c1ncc(Cl)cc1Sc1ccccc1
InChIInChI=1S/C12H9ClN2OS/c13-8-6-10(11(12(14)16)15-7-8)17-9-4-2-1-3-5-9/h1-7H,(H2,14,16)
InChIKeyMCJFRICXUUCJQO-UHFFFAOYSA-N
MW264.74 g/mol
LogP2.99
Rot. Bonds3

About 5-chloro-3-phenylsulfanylpyridine-2-carboxamide

5-chloro-3-phenylsulfanylpyridine-2-carboxamide (PubChem CID 172625577) has the molecular formula C12H9ClN2OS and a molecular weight of 264.74 g/mol. Its IUPAC name is 5-chloro-3-phenylsulfanylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-phenylsulfanylpyridine-2-carboxamide
PubChem CID172625577
Molecular FormulaC12H9ClN2OS
Molecular Weight264.74 g/mol
Exact Mass264.01
IUPAC Name5-chloro-3-phenylsulfanylpyridine-2-carboxamide
SMILESNC(=O)c1ncc(Cl)cc1Sc1ccccc1
InChIInChI=1S/C12H9ClN2OS/c13-8-6-10(11(12(14)16)15-7-8)17-9-4-2-1-3-5-9/h1-7H,(H2,14,16)
InChIKeyMCJFRICXUUCJQO-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

3-(4-bromophenyl)sulfanyl-5-chloropyridine-2-carboxamide
CID 172625639
5-chloro-3-cyclohexylsulfanylpyridine-2-carboxamide
CID 172625620
5-chloro-N'-hydroxy-3-(4-methoxyphenyl)sulfanylpyridine-2-carboximidamide
CID 172625623
phenylsulfanylbenzene;urea
CID 161199097
5-chloro-3-phenylpyridine-2-carbonyl chloride
CID 133097755
5-(5-chloro-2-pyridinyl)pyrazine-2,3-dicarboxamide
CID 69352567
4-chloro-2-phenylsulfanylbenzenethiol
CID 22351740
5-bromo-2-chloro-3-phenylsulfanylpyridine
CID 88540747
5-[4-(2-chlorophenyl)sulfanylphenyl]-2H-triazole-4-carboxamide
CID 169403301
3-(2-aminophenyl)sulfanyl-5-chloropyridin-2-amine
CID 110174669
3-(benzenesulfinyl)-5-chloro-N'-hydroxypyridine-2-carboximidamide
CID 172625617
(2R)-2-(4-chlorophenyl)-2-(6-phenylsulfanylpyridazin-3-yl)acetamide
CID 6404684

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-phenylsulfanylpyridine-2-carboxamide?
The IUPAC name of 5-chloro-3-phenylsulfanylpyridine-2-carboxamide (CID 172625577) is 5-chloro-3-phenylsulfanylpyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-3-phenylsulfanylpyridine-2-carboxamide?
The canonical SMILES for 5-chloro-3-phenylsulfanylpyridine-2-carboxamide is NC(=O)c1ncc(Cl)cc1Sc1ccccc1.
What is the InChIKey of 5-chloro-3-phenylsulfanylpyridine-2-carboxamide?
The InChIKey is MCJFRICXUUCJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2OS/c13-8-6-10(11(12(14)16)15-7-8)17-9-4-2-1-3-5-9/h1-7H,(H2,14,16).
What are the key properties of 5-chloro-3-phenylsulfanylpyridine-2-carboxamide?
5-chloro-3-phenylsulfanylpyridine-2-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 5-chloro-3-phenylsulfanylpyridine-2-carboxamide is sourced from PubChem (CID 172625577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).