4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide

C15H15Cl2NO2S — CID 110440463

IUPAC4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15Cl2NO2S/c1-15(2,11-3-5-12(16)6-4-11)18-21(19,20)14-9-7-13(17)8-10-14/h3-10,18H,1-2H3
InChIKeyPBHAHUVGAFZSLG-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.21
Rot. Bonds4

About 4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide

4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide (PubChem CID 110440463) has the molecular formula C15H15Cl2NO2S and a molecular weight of 344.26 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide
PubChem CID110440463
Molecular FormulaC15H15Cl2NO2S
Molecular Weight344.26 g/mol
Exact Mass343.02
IUPAC Name4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15Cl2NO2S/c1-15(2,11-3-5-12(16)6-4-11)18-21(19,20)14-9-7-13(17)8-10-14/h3-10,18H,1-2H3
InChIKeyPBHAHUVGAFZSLG-UHFFFAOYSA-N
XLogP4.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 841727
N-[2-(4-fluorophenyl)propan-2-yl]-4-methylbenzenesulfonamide
CID 110440972
N-(1-bromo-2-methylpropan-2-yl)-4-chlorobenzenesulfonamide
CID 114298498
N-[2-(3-chlorophenyl)propan-2-yl]-4-fluorobenzenesulfonamide
CID 110446078
N-[1-bromo-2-(4-chlorophenyl)propan-2-yl]-4-methylbenzenesulfonamide
CID 11774034
3,4-dichloro-N-(2-phenylpropan-2-yl)benzenesulfonamide
CID 113091765
N-[2-(4-bromophenyl)propan-2-yl]-4-nitrobenzenesulfonamide
CID 39703771
1-(4-chlorophenyl)sulfonyl-3-(2-phenylpropan-2-yl)urea
CID 134113081
4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 40744824
4-chloro-N-[3-(chloromethyl)pentan-3-yl]benzenesulfonamide
CID 65032275
potassium 4-chloro-N-methylbenzenesulfonamide
CID 21293199
2-(4-chlorophenyl)-N-methylpropan-2-amine
CID 21341108

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide (CID 110440463) is 4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide is CC(C)(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide?
The InChIKey is PBHAHUVGAFZSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2S/c1-15(2,11-3-5-12(16)6-4-11)18-21(19,20)14-9-7-13(17)8-10-14/h3-10,18H,1-2H3.
What are the key properties of 4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide?
4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide has a molecular weight of 344.26 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-chlorophenyl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 110440463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).