4-[2-(cyclohexylamino)ethyl]benzenesulfonamide

C14H22N2O2S — CID 54995569

IUPAC4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNC2CCCCC2)cc1
InChIInChI=1S/C14H22N2O2S/c15-19(17,18)14-8-6-12(7-9-14)10-11-16-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10-11H2,(H2,15,17,18)
InChIKeySPGAYZUKSFLGRI-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.80
Rot. Bonds5

About 4-[2-(cyclohexylamino)ethyl]benzenesulfonamide

4-[2-(cyclohexylamino)ethyl]benzenesulfonamide (PubChem CID 54995569) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-[2-(cyclohexylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
PubChem CID54995569
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNC2CCCCC2)cc1
InChIInChI=1S/C14H22N2O2S/c15-19(17,18)14-8-6-12(7-9-14)10-11-16-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10-11H2,(H2,15,17,18)
InChIKeySPGAYZUKSFLGRI-UHFFFAOYSA-N
XLogP1.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide
CID 79742039
4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide
CID 54995674
4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 106872019
4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide
CID 80560838
4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64500491
N'-cyclohexyl-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108942543
4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 119164939
4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide
CID 104872021
4-[2-(cyclooctylamino)ethyl]phenol
CID 61238875
4-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]benzenesulfonamide
CID 64760901
N-[2-(4-nitrophenyl)ethyl]cyclopentanamine
CID 43519882
4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide
CID 131898978

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(cyclohexylamino)ethyl]benzenesulfonamide (CID 54995569) is 4-[2-(cyclohexylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(cyclohexylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(cyclohexylamino)ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNC2CCCCC2)cc1.
What is the InChIKey of 4-[2-(cyclohexylamino)ethyl]benzenesulfonamide?
The InChIKey is SPGAYZUKSFLGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c15-19(17,18)14-8-6-12(7-9-14)10-11-16-13-4-2-1-3-5-13/h6-9,13,16H,1-5,10-11H2,(H2,15,17,18).
What are the key properties of 4-[2-(cyclohexylamino)ethyl]benzenesulfonamide?
4-[2-(cyclohexylamino)ethyl]benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 54995569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).