3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide

C20H23ClN2O3S — CID 41484446

IUPAC3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H23ClN2O3S/c21-17-10-7-16(8-11-17)9-12-20(24)22-18-5-4-6-19(15-18)27(25,26)23-13-2-1-3-14-23/h4-8,10-11,15H,1-3,9,12-14H2,(H,22,24)
InChIKeyXOPOSJTUFARGAB-UHFFFAOYSA-N
MW406.94 g/mol
LogP4.09
Rot. Bonds6

About 3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide

3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 41484446) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID41484446
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H23ClN2O3S/c21-17-10-7-16(8-11-17)9-12-20(24)22-18-5-4-6-19(15-18)27(25,26)23-13-2-1-3-14-23/h4-8,10-11,15H,1-3,9,12-14H2,(H,22,24)
InChIKeyXOPOSJTUFARGAB-UHFFFAOYSA-N
XLogP4.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24554825
3-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 30684734
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262517
4-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 110312103
N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9244621
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
3-phenyl-N-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide
CID 2962070
N-(3-chlorophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7900052
3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 25437805
[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 4967233

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide (CID 41484446) is 3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is XOPOSJTUFARGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c21-17-10-7-16(8-11-17)9-12-20(24)22-18-5-4-6-19(15-18)27(25,26)23-13-2-1-3-14-23/h4-8,10-11,15H,1-3,9,12-14H2,(H,22,24).
What are the key properties of 3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide?
3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 406.94 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 41484446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).