N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide

C14H22N2O2S — CID 120708205

IUPACN-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)NC1CCC(N)CC1
InChIInChI=1S/C14H22N2O2S/c1-2-11-5-3-4-6-14(11)19(17,18)16-13-9-7-12(15)8-10-13/h3-6,12-13,16H,2,7-10,15H2,1H3
InChIKeyUFEJFEWJIMUBCU-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.80
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide

N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide (PubChem CID 120708205) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide
PubChem CID120708205
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide
SMILESCCc1ccccc1S(=O)(=O)NC1CCC(N)CC1
InChIInChI=1S/C14H22N2O2S/c1-2-11-5-3-4-6-14(11)19(17,18)16-13-9-7-12(15)8-10-13/h3-6,12-13,16H,2,7-10,15H2,1H3
InChIKeyUFEJFEWJIMUBCU-UHFFFAOYSA-N
XLogP1.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

N-cyclopropyl-2-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide
CID 63351840
2-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide
CID 63203328
2-[(4-aminocyclohexyl)amino]-N-ethylbenzenesulfonamide
CID 62313487
2-(ethylaminomethyl)-N-(thian-4-yl)benzenesulfonamide
CID 106084383
4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine
CID 55067066
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
N-(3-aminocyclopentyl)-2-fluorobenzenesulfonamide
CID 115272790
2-[(4-ethylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 61470175
2-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 61222385
N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
CID 103462650
2-(methylaminomethyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551992
2-(3-aminocyclopentyl)oxy-N-cyclopropylbenzenesulfonamide
CID 79465932

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide (CID 120708205) is N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide is CCc1ccccc1S(=O)(=O)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide?
The InChIKey is UFEJFEWJIMUBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-11-5-3-4-6-14(11)19(17,18)16-13-9-7-12(15)8-10-13/h3-6,12-13,16H,2,7-10,15H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide?
N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-ethylbenzenesulfonamide is sourced from PubChem (CID 120708205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).