N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide

C17H27N3O2S — CID 23604938

IUPACN-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
SMILESCN1CCN(C2CCCCC2NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O2S/c1-19-11-13-20(14-12-19)17-10-6-5-9-16(17)18-23(21,22)15-7-3-2-4-8-15/h2-4,7-8,16-18H,5-6,9-14H2,1H3
InChIKeyZVYXEYXGYWDUEV-UHFFFAOYSA-N
MW337.49 g/mol
LogP1.52
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide

N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide (PubChem CID 23604938) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
PubChem CID23604938
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
SMILESCN1CCN(C2CCCCC2NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O2S/c1-19-11-13-20(14-12-19)17-10-6-5-9-16(17)18-23(21,22)15-7-3-2-4-8-15/h2-4,7-8,16-18H,5-6,9-14H2,1H3
InChIKeyZVYXEYXGYWDUEV-UHFFFAOYSA-N
XLogP1.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 94784704
N-[(1R,2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784690
N-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784679
4-chloro-N-[(1S,2S)-2-(4-propylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 92669885
N-[(1R)-2-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-4-methylbenzenesulfonamide
CID 155770202
4-chloro-N-[(1R,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784722
1-N-[(1R,2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]cyclohexyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 164573209
[2-(benzenesulfonamido)cyclohexyl]-dimethylazanium
CID 4243978
4-chloro-N-[(1S,2R)-2-morpholin-4-ylcyclohexyl]benzenesulfonamide
CID 1167612
4-chloro-N-(2-piperazin-1-ylcyclohexyl)benzenesulfonamide
CID 3148616
N-(2-bromocyclopentyl)benzenesulfonamide
CID 18999501
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-acetylbenzenesulfonamide
CID 100838682

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide (CID 23604938) is N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide is CN1CCN(C2CCCCC2NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide?
The InChIKey is ZVYXEYXGYWDUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-19-11-13-20(14-12-19)17-10-6-5-9-16(17)18-23(21,22)15-7-3-2-4-8-15/h2-4,7-8,16-18H,5-6,9-14H2,1H3.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide?
N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide has a molecular weight of 337.49 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 23604938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).