3-(3-chlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)propanamide

C15H15ClN2O4S — CID 110620805

IUPAC3-(3-chlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)c2cccc(Cl)c2)cn1
InChIInChI=1S/C15H15ClN2O4S/c1-22-15-6-5-12(10-17-15)18-14(19)7-8-23(20,21)13-4-2-3-11(16)9-13/h2-6,9-10H,7-8H2,1H3,(H,18,19)
InChIKeyPXTGRYHBYZRRNH-UHFFFAOYSA-N
MW354.82 g/mol
LogP2.55
Rot. Bonds6

About 3-(3-chlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)propanamide

3-(3-chlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)propanamide (PubChem CID 110620805) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)propanamide
PubChem CID110620805
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Name3-(3-chlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)c2cccc(Cl)c2)cn1
InChIInChI=1S/C15H15ClN2O4S/c1-22-15-6-5-12(10-17-15)18-14(19)7-8-23(20,21)13-4-2-3-11(16)9-13/h2-6,9-10H,7-8H2,1H3,(H,18,19)
InChIKeyPXTGRYHBYZRRNH-UHFFFAOYSA-N
XLogP2.55
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)propanamide
CID 110620787
N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110423914
N-(3-chlorophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110420604
2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 40713437
3-(3-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110424864
2-(3-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 1486366
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
N-(2-anilino-2-oxoethyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110624241
3-(3-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 110411335
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794
3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide
CID 46797612
2-chloro-N-[3-[(6-methoxy-3-pyridinyl)amino]-3-oxopropyl]benzamide
CID 40599620

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)propanamide?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)propanamide (CID 110620805) is 3-(3-chlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)propanamide?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)propanamide is COc1ccc(NC(=O)CCS(=O)(=O)c2cccc(Cl)c2)cn1.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)propanamide?
The InChIKey is PXTGRYHBYZRRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-22-15-6-5-12(10-17-15)18-14(19)7-8-23(20,21)13-4-2-3-11(16)9-13/h2-6,9-10H,7-8H2,1H3,(H,18,19).
What are the key properties of 3-(3-chlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)propanamide?
3-(3-chlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)propanamide has a molecular weight of 354.82 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)propanamide is sourced from PubChem (CID 110620805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).