3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)propanamide

C14H13ClN2O3S — CID 3163448

IUPAC3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H13ClN2O3S/c15-11-6-7-13(16-10-11)17-14(18)8-9-21(19,20)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,16,17,18)
InChIKeyQLFCNXVHZQSQRH-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.54
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)propanamide

3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)propanamide (PubChem CID 3163448) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)propanamide
PubChem CID3163448
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H13ClN2O3S/c15-11-6-7-13(16-10-11)17-14(18)8-9-21(19,20)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,16,17,18)
InChIKeyQLFCNXVHZQSQRH-UHFFFAOYSA-N
XLogP2.54
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{4-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}acetamide
CID 669666
2-(4-acetamidophenyl)sulfanyl-N-(5-chloropyridin-2-yl)acetamide
CID 2100279
2-(benzenesulfonyl)-N-(5-chloropyridin-2-yl)acetamide
CID 2985129
1-(butylsulfonyl)-N-(5-chloro-2-pyridinyl)-3-piperidinecarboxamide
CID 6472096
AJ-333/36115006
CID 902012
N-(3-chloro-2-pyridinyl)-2-phenyl-2-(phenylsulfanyl)acetamide
CID 3915320
1-(3-Chloropyridin-2-yl)-N-(4-(trifluoromethylsulfonyl)-phenyl)-1,2,3,6-tetrahydropyridine-4-carboxamide
CID 11247815
N-(5-chloropyridin-2-yl)-2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135468959
N-(5-chloropyridin-2-yl)benzenesulfonamide
CID 555746
N-(4-chloro-2-pyridinyl)-1-(2-thienylsulfonyl)-4-piperidinecarboxamide
CID 1190394
N-(5-chloro-2-pyridinyl)-1-(2-thienylsulfonyl)-4-piperidinecarboxamide
CID 2082265
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate
CID 2100678

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)propanamide (CID 3163448) is 3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(Cl)cn1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)propanamide?
The InChIKey is QLFCNXVHZQSQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c15-11-6-7-13(16-10-11)17-14(18)8-9-21(19,20)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,16,17,18).
What are the key properties of 3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)propanamide?
3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)propanamide has a molecular weight of 324.79 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(5-chloro-2-pyridinyl)propanamide is sourced from PubChem (CID 3163448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).