3-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide

C14H13ClN2OS — CID 883013

IUPAC3-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide
SMILESO=C(CCSc1ccc(Cl)cc1)Nc1cccnc1
InChIInChI=1S/C14H13ClN2OS/c15-11-3-5-13(6-4-11)19-9-7-14(18)17-12-2-1-8-16-10-12/h1-6,8,10H,7,9H2,(H,17,18)
InChIKeyBFZAEWVSGOTSFL-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.86
Rot. Bonds5

About 3-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide

3-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide (PubChem CID 883013) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide
PubChem CID883013
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide
SMILESO=C(CCSc1ccc(Cl)cc1)Nc1cccnc1
InChIInChI=1S/C14H13ClN2OS/c15-11-3-5-13(6-4-11)19-9-7-14(18)17-12-2-1-8-16-10-12/h1-6,8,10H,7,9H2,(H,17,18)
InChIKeyBFZAEWVSGOTSFL-UHFFFAOYSA-N
XLogP3.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide (CID 883013) is 3-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide is O=C(CCSc1ccc(Cl)cc1)Nc1cccnc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide?
The InChIKey is BFZAEWVSGOTSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c15-11-3-5-13(6-4-11)19-9-7-14(18)17-12-2-1-8-16-10-12/h1-6,8,10H,7,9H2,(H,17,18).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide?
3-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide has a molecular weight of 292.79 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 883013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).