2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide

C11H15Cl2NO2S — CID 107651341

IUPAC2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide
SMILESCCC(NS(=O)(=O)CCCl)c1ccc(Cl)cc1
InChIInChI=1S/C11H15Cl2NO2S/c1-2-11(14-17(15,16)8-7-12)9-3-5-10(13)6-4-9/h3-6,11,14H,2,7-8H2,1H3
InChIKeyCIORPQCOCHLXOI-UHFFFAOYSA-N
MW296.22 g/mol
LogP2.95
Rot. Bonds6

About 2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide

2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide (PubChem CID 107651341) has the molecular formula C11H15Cl2NO2S and a molecular weight of 296.22 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide
PubChem CID107651341
Molecular FormulaC11H15Cl2NO2S
Molecular Weight296.22 g/mol
Exact Mass295.02
IUPAC Name2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide
SMILESCCC(NS(=O)(=O)CCCl)c1ccc(Cl)cc1
InChIInChI=1S/C11H15Cl2NO2S/c1-2-11(14-17(15,16)8-7-12)9-3-5-10(13)6-4-9/h3-6,11,14H,2,7-8H2,1H3
InChIKeyCIORPQCOCHLXOI-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide
CID 66978869
N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide
CID 60709307
1-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]methanesulfonamide
CID 133210545
2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide
CID 61052546
1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 38009978
1-(4-chlorophenyl)propane-1-sulfonyl chloride
CID 62085809
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide
CID 28569145
N-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275711
1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide
CID 43907995

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide (CID 107651341) is 2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide is CCC(NS(=O)(=O)CCCl)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide?
The InChIKey is CIORPQCOCHLXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO2S/c1-2-11(14-17(15,16)8-7-12)9-3-5-10(13)6-4-9/h3-6,11,14H,2,7-8H2,1H3.
What are the key properties of 2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide?
2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide has a molecular weight of 296.22 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide is sourced from PubChem (CID 107651341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).