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

C18H29N3O2S — CID 23604944

IUPACN-[2-(4-ethylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
SMILESCCN1CCN(C2CCCCC2NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H29N3O2S/c1-2-20-12-14-21(15-13-20)18-11-7-6-10-17(18)19-24(22,23)16-8-4-3-5-9-16/h3-5,8-9,17-19H,2,6-7,10-15H2,1H3
InChIKeyNAVSQDYWJRVZRQ-UHFFFAOYSA-N
MW351.52 g/mol
LogP1.91
Rot. Bonds5

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

N-[2-(4-ethylpiperazin-1-yl)cyclohexyl]benzenesulfonamide (PubChem CID 23604944) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
PubChem CID23604944
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
SMILESCCN1CCN(C2CCCCC2NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H29N3O2S/c1-2-20-12-14-21(15-13-20)18-11-7-6-10-17(18)19-24(22,23)16-8-4-3-5-9-16/h3-5,8-9,17-19H,2,6-7,10-15H2,1H3
InChIKeyNAVSQDYWJRVZRQ-UHFFFAOYSA-N
XLogP1.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Benzenesulfonyl)piperazine
CID 808712
1-Benzene sulfonyl-cis-2,6-dimethyl piperidine
CID 726586
1-Methyl-4-(phenylsulfonyl)piperazine
CID 260251
4-Iodo-N-(2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 10023529
N-[1-(2-ethylpiperidin-1-yl)-2-methylpropan-2-yl]benzenesulfonamide
CID 4194972
N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
CID 5063897
N-[2-(4-hydroxypiperidin-1-yl)cyclohexyl]benzenesulfonamide
CID 23604937
4-(4-Cyclopentyl-piperazine-1-sulfonyl)-benzenesulfonamide
CID 24793469
4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclohexyl-benzenesulfonamide
CID 1433329
2-Ethyl-1-(phenylsulfonyl)piperidine
CID 2839599
1-[1-(Benzenesulfonyl)piperidin-4-yl]azepane
CID 660410
1-Cyclooctyl-4-(phenylsulfonyl)piperazine
CID 777562

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)cyclohexyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)cyclohexyl]benzenesulfonamide (CID 23604944) is N-[2-(4-ethylpiperazin-1-yl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)cyclohexyl]benzenesulfonamide is CCN1CCN(C2CCCCC2NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)cyclohexyl]benzenesulfonamide?
The InChIKey is NAVSQDYWJRVZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-2-20-12-14-21(15-13-20)18-11-7-6-10-17(18)19-24(22,23)16-8-4-3-5-9-16/h3-5,8-9,17-19H,2,6-7,10-15H2,1H3.
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)cyclohexyl]benzenesulfonamide?
N-[2-(4-ethylpiperazin-1-yl)cyclohexyl]benzenesulfonamide has a molecular weight of 351.52 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 23604944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).