3-(4-chlorophenyl)sulfonyl-N-(4-cyanophenyl)propanamide

C16H13ClN2O3S — CID 26665455

IUPAC3-(4-chlorophenyl)sulfonyl-N-(4-cyanophenyl)propanamide
SMILESN#Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClN2O3S/c17-13-3-7-15(8-4-13)23(21,22)10-9-16(20)19-14-5-1-12(11-18)2-6-14/h1-8H,9-10H2,(H,19,20)
InChIKeyPNKMWDUMFOVZMJ-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.01
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-N-(4-cyanophenyl)propanamide

3-(4-chlorophenyl)sulfonyl-N-(4-cyanophenyl)propanamide (PubChem CID 26665455) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(4-cyanophenyl)propanamide
PubChem CID26665455
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(4-cyanophenyl)propanamide
SMILESN#Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H13ClN2O3S/c17-13-3-7-15(8-4-13)23(21,22)10-9-16(20)19-14-5-1-12(11-18)2-6-14/h1-8H,9-10H2,(H,19,20)
InChIKeyPNKMWDUMFOVZMJ-UHFFFAOYSA-N
XLogP3.01
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-N-(4-cyanophenyl)propanamide
CID 17310101
3-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)propanamide
CID 7254314
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(4-cyanophenyl)propanamide
CID 110428569
N-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 2477289
3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide
CID 2902895
N'-[3-(4-chlorophenyl)sulfonylpropanoyl]-2-(4-cyanophenoxy)propanehydrazide
CID 4848882
[2-(4-chloroanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate
CID 17260548
3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide
CID 46797612
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 7254317
3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide
CID 26589989
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(4-cyanophenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(4-cyanophenyl)propanamide (CID 26665455) is 3-(4-chlorophenyl)sulfonyl-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(4-cyanophenyl)propanamide is N#Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(4-cyanophenyl)propanamide?
The InChIKey is PNKMWDUMFOVZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c17-13-3-7-15(8-4-13)23(21,22)10-9-16(20)19-14-5-1-12(11-18)2-6-14/h1-8H,9-10H2,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(4-cyanophenyl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(4-cyanophenyl)propanamide has a molecular weight of 348.81 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 26665455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).