4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide

C15H15Cl2NO2S — CID 17191083

IUPAC4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15Cl2NO2S/c1-2-15(11-3-5-12(16)6-4-11)18-21(19,20)14-9-7-13(17)8-10-14/h3-10,15,18H,2H2,1H3
InChIKeyKCMRDYNQAJGGTH-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.42
Rot. Bonds5

About 4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide

4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide (PubChem CID 17191083) has the molecular formula C15H15Cl2NO2S and a molecular weight of 344.26 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
PubChem CID17191083
Molecular FormulaC15H15Cl2NO2S
Molecular Weight344.26 g/mol
Exact Mass343.02
IUPAC Name4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15Cl2NO2S/c1-2-15(11-3-5-12(16)6-4-11)18-21(19,20)14-9-7-13(17)8-10-14/h3-10,15,18H,2H2,1H3
InChIKeyKCMRDYNQAJGGTH-UHFFFAOYSA-N
XLogP4.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide
CID 66978869
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide
CID 60709307
2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide
CID 107651341
3-chloro-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
CID 18271278
4-chloro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 87610028
4-bromo-N-[1-(4-chlorophenyl)propyl]-2-nitrobenzenesulfonamide
CID 167874755
4-fluoro-3-methyl-N-[1-(4-methylsulfonylphenyl)propyl]benzenesulfonamide
CID 133189853
N-[2-azido-1-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 11245057
2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide
CID 61052546
4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 22200952

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide (CID 17191083) is 4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide is CCC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide?
The InChIKey is KCMRDYNQAJGGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2S/c1-2-15(11-3-5-12(16)6-4-11)18-21(19,20)14-9-7-13(17)8-10-14/h3-10,15,18H,2H2,1H3.
What are the key properties of 4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide?
4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide has a molecular weight of 344.26 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 17191083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).