3-amino-N-(1-cyclohexylethyl)benzenesulfonamide

C14H22N2O2S — CID 62406253

IUPAC3-amino-N-(1-cyclohexylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(N)c1)C1CCCCC1
InChIInChI=1S/C14H22N2O2S/c1-11(12-6-3-2-4-7-12)16-19(17,18)14-9-5-8-13(15)10-14/h5,8-12,16H,2-4,6-7,15H2,1H3
InChIKeyIPQIZBUHHLDMSJ-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.52
Rot. Bonds4

About 3-amino-N-(1-cyclohexylethyl)benzenesulfonamide

3-amino-N-(1-cyclohexylethyl)benzenesulfonamide (PubChem CID 62406253) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-amino-N-(1-cyclohexylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-cyclohexylethyl)benzenesulfonamide
PubChem CID62406253
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-amino-N-(1-cyclohexylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(N)c1)C1CCCCC1
InChIInChI=1S/C14H22N2O2S/c1-11(12-6-3-2-4-7-12)16-19(17,18)14-9-5-8-13(15)10-14/h5,8-12,16H,2-4,6-7,15H2,1H3
InChIKeyIPQIZBUHHLDMSJ-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
3-N-(1-cyclobutylethyl)benzene-1,3-disulfonamide
CID 115767059
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide
CID 81440565
3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide
CID 106612198
2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide
CID 62407142
3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63995414
N-(1-cyclohexylethyl)-2-hydrazinylpyridine-4-sulfonamide
CID 62405634
4-(aminomethyl)-N-(1-cyclohexylethyl)-3-methylbenzenesulfonamide
CID 106919354
N-(1-cyclohexylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422097
2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide
CID 62406259
2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid
CID 81389268

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclohexylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(1-cyclohexylethyl)benzenesulfonamide (CID 62406253) is 3-amino-N-(1-cyclohexylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(1-cyclohexylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(1-cyclohexylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1cccc(N)c1)C1CCCCC1.
What is the InChIKey of 3-amino-N-(1-cyclohexylethyl)benzenesulfonamide?
The InChIKey is IPQIZBUHHLDMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(12-6-3-2-4-7-12)16-19(17,18)14-9-5-8-13(15)10-14/h5,8-12,16H,2-4,6-7,15H2,1H3.
What are the key properties of 3-amino-N-(1-cyclohexylethyl)benzenesulfonamide?
3-amino-N-(1-cyclohexylethyl)benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cyclohexylethyl)benzenesulfonamide is sourced from PubChem (CID 62406253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).