N-(3-chlorophenyl)sulfonyl-2-phenylsulfanylpropanamide

C15H14ClNO3S2 — CID 87011358

IUPACN-(3-chlorophenyl)sulfonyl-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClNO3S2/c1-11(21-13-7-3-2-4-8-13)15(18)17-22(19,20)14-9-5-6-12(16)10-14/h2-11H,1H3,(H,17,18)
InChIKeyJSWCCBUWGXMAMG-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.33
Rot. Bonds5

About N-(3-chlorophenyl)sulfonyl-2-phenylsulfanylpropanamide

N-(3-chlorophenyl)sulfonyl-2-phenylsulfanylpropanamide (PubChem CID 87011358) has the molecular formula C15H14ClNO3S2 and a molecular weight of 355.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)sulfonyl-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)sulfonyl-2-phenylsulfanylpropanamide
PubChem CID87011358
Molecular FormulaC15H14ClNO3S2
Molecular Weight355.87 g/mol
Exact Mass355.01
IUPAC NameN-(3-chlorophenyl)sulfonyl-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClNO3S2/c1-11(21-13-7-3-2-4-8-13)15(18)17-22(19,20)14-9-5-6-12(16)10-14/h2-11H,1H3,(H,17,18)
InChIKeyJSWCCBUWGXMAMG-UHFFFAOYSA-N
XLogP3.33
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)sulfonyl-2-methylpropanamide
CID 47269833
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide
CID 132673976
1,3-bis[(3-chlorophenyl)sulfonyl]urea
CID 155928665
(3-chlorophenyl)sulfonylurea
CID 117060605
N-(3-chlorophenyl)sulfonyl-4-methylpentanamide
CID 47233055
(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2501549
N-(3-chlorophenyl)sulfonyl-2,2-dimethylpropanamide
CID 47269831
(2S)-2-(3-chlorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 95318510
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-[(1R)-2-methyl-1-phenylpropyl]propanamide
CID 51886343
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide
CID 8883782
2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43084241
(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 894028

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)sulfonyl-2-phenylsulfanylpropanamide?
The IUPAC name of N-(3-chlorophenyl)sulfonyl-2-phenylsulfanylpropanamide (CID 87011358) is N-(3-chlorophenyl)sulfonyl-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-(3-chlorophenyl)sulfonyl-2-phenylsulfanylpropanamide?
The canonical SMILES for N-(3-chlorophenyl)sulfonyl-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)sulfonyl-2-phenylsulfanylpropanamide?
The InChIKey is JSWCCBUWGXMAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S2/c1-11(21-13-7-3-2-4-8-13)15(18)17-22(19,20)14-9-5-6-12(16)10-14/h2-11H,1H3,(H,17,18).
What are the key properties of N-(3-chlorophenyl)sulfonyl-2-phenylsulfanylpropanamide?
N-(3-chlorophenyl)sulfonyl-2-phenylsulfanylpropanamide has a molecular weight of 355.87 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)sulfonyl-2-phenylsulfanylpropanamide is sourced from PubChem (CID 87011358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).