N-[2,3-bis(4-chlorophenyl)butyl]benzenesulfonamide

C22H21Cl2NO2S — CID 69331280

IUPACN-[2,3-bis(4-chlorophenyl)butyl]benzenesulfonamide
SMILESCC(c1ccc(Cl)cc1)C(CNS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H21Cl2NO2S/c1-16(17-7-11-19(23)12-8-17)22(18-9-13-20(24)14-10-18)15-25-28(26,27)21-5-3-2-4-6-21/h2-14,16,22,25H,15H2,1H3
InChIKeyHFLAJDTWRIVLQN-UHFFFAOYSA-N
MW434.39 g/mol
LogP5.86
Rot. Bonds7

About N-[2,3-bis(4-chlorophenyl)butyl]benzenesulfonamide

N-[2,3-bis(4-chlorophenyl)butyl]benzenesulfonamide (PubChem CID 69331280) has the molecular formula C22H21Cl2NO2S and a molecular weight of 434.39 g/mol. Its IUPAC name is N-[2,3-bis(4-chlorophenyl)butyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2,3-bis(4-chlorophenyl)butyl]benzenesulfonamide
PubChem CID69331280
Molecular FormulaC22H21Cl2NO2S
Molecular Weight434.39 g/mol
Exact Mass433.07
IUPAC NameN-[2,3-bis(4-chlorophenyl)butyl]benzenesulfonamide
SMILESCC(c1ccc(Cl)cc1)C(CNS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H21Cl2NO2S/c1-16(17-7-11-19(23)12-8-17)22(18-9-13-20(24)14-10-18)15-25-28(26,27)21-5-3-2-4-6-21/h2-14,16,22,25H,15H2,1H3
InChIKeyHFLAJDTWRIVLQN-UHFFFAOYSA-N
XLogP5.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.39
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-chlorophenyl)-2-(3-cyanophenyl)butyl]naphthalene-2-sulfonamide
CID 69343924
4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198403
4-chloro-N-[(2S)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198405
N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
N-[(2S)-2-(chloroamino)-3-methylbutyl]benzenesulfonamide
CID 58821622
4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 7067570
N-(4-amino-2-methylbutyl)benzenesulfonamide
CID 66091403
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]benzenesulfonamide
CID 110314900
4-chloro-N-[(2R)-2-phenyl-2-(2-phenylhydrazinyl)ethyl]benzenesulfonamide
CID 51567307
4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 110663555
3-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 110663554
4-chloro-N-[2-(4-methylphenyl)sulfanyl-2-phenylethyl]benzenesulfonamide
CID 4544366

Frequently Asked Questions

What is the IUPAC name of N-[2,3-bis(4-chlorophenyl)butyl]benzenesulfonamide?
The IUPAC name of N-[2,3-bis(4-chlorophenyl)butyl]benzenesulfonamide (CID 69331280) is N-[2,3-bis(4-chlorophenyl)butyl]benzenesulfonamide.
What is the SMILES notation for N-[2,3-bis(4-chlorophenyl)butyl]benzenesulfonamide?
The canonical SMILES for N-[2,3-bis(4-chlorophenyl)butyl]benzenesulfonamide is CC(c1ccc(Cl)cc1)C(CNS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2,3-bis(4-chlorophenyl)butyl]benzenesulfonamide?
The InChIKey is HFLAJDTWRIVLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2NO2S/c1-16(17-7-11-19(23)12-8-17)22(18-9-13-20(24)14-10-18)15-25-28(26,27)21-5-3-2-4-6-21/h2-14,16,22,25H,15H2,1H3.
What are the key properties of N-[2,3-bis(4-chlorophenyl)butyl]benzenesulfonamide?
N-[2,3-bis(4-chlorophenyl)butyl]benzenesulfonamide has a molecular weight of 434.39 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis(4-chlorophenyl)butyl]benzenesulfonamide is sourced from PubChem (CID 69331280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).