N-[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide

C22H28ClN3O2S — CID 23604931

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C22H28ClN3O2S/c23-18-7-6-8-19(17-18)25-13-15-26(16-14-25)22-12-5-4-11-21(22)24-29(27,28)20-9-2-1-3-10-20/h1-3,6-10,17,21-22,24H,4-5,11-16H2
InChIKeyMBKJPVCOWJBZMX-UHFFFAOYSA-N
MW434.01 g/mol
LogP3.75
Rot. Bonds5

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide (PubChem CID 23604931) has the molecular formula C22H28ClN3O2S and a molecular weight of 434.01 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
PubChem CID23604931
Molecular FormulaC22H28ClN3O2S
Molecular Weight434.01 g/mol
Exact Mass433.16
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C22H28ClN3O2S/c23-18-7-6-8-19(17-18)25-13-15-26(16-14-25)22-12-5-4-11-21(22)24-29(27,28)20-9-2-1-3-10-20/h1-3,6-10,17,21-22,24H,4-5,11-16H2
InChIKeyMBKJPVCOWJBZMX-UHFFFAOYSA-N
XLogP3.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.01
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Chlorophenyl)-4-(phenylsulfonyl)piperazine
CID 710994
N4-(3-chloro-2-(piperidin-1-yl)phenyl)-N1,N1-dimethylbenzene-1,4-disulfonamide
CID 154578372
Piperazine, 1-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfonyl]-
CID 985376
4-(4-Benzenesulfonamidophenyl)piperazine
CID 11849789
5-Amino-N-(4-chloro-phenyl)-2-piperidin-1-yl-benzenesulfonamide
CID 3422328
1-(4-chlorophenyl)-4-[3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propyl]piperazine
CID 168283786
1-(4-chlorophenyl)-4-[3-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]propyl]piperazine
CID 168287666
N-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 662555
5-Amino-N-(2-chloro-phenyl)-2-piperidin-1-yl-benzenesulfonamide
CID 3767555
4-Chloro-N-isopropyl-N-[3-(4-methyl-piperazin-1-yl)-phenyl]-benzenesulfonamide
CID 49864687
N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2814220
1-(3-Chlorophenyl)-4-(2,5-dichlorobenzene-1-sulfonyl)piperazine
CID 386370

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide (CID 23604931) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide is O=S(=O)(NC1CCCCC1N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
The InChIKey is MBKJPVCOWJBZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O2S/c23-18-7-6-8-19(17-18)25-13-15-26(16-14-25)22-12-5-4-11-21(22)24-29(27,28)20-9-2-1-3-10-20/h1-3,6-10,17,21-22,24H,4-5,11-16H2.
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide has a molecular weight of 434.01 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 23604931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).