4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide

C15H24N2O3S — CID 65115478

IUPAC4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESCCC1CCC(O)(CNS(=O)(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C15H24N2O3S/c1-2-12-7-9-15(18,10-8-12)11-17-21(19,20)14-5-3-13(16)4-6-14/h3-6,12,17-18H,2,7-11,16H2,1H3
InChIKeyNMETZWPBSUIENV-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.88
Rot. Bonds5

About 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide

4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide (PubChem CID 65115478) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide
PubChem CID65115478
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESCCC1CCC(O)(CNS(=O)(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C15H24N2O3S/c1-2-12-7-9-15(18,10-8-12)11-17-21(19,20)14-5-3-13(16)4-6-14/h3-6,12,17-18H,2,7-11,16H2,1H3
InChIKeyNMETZWPBSUIENV-UHFFFAOYSA-N
XLogP1.88
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-4-nitrobenzenesulfonamide
CID 134883902
4-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 61720671
4-amino-N-[(4-ethylcyclohexyl)methyl]-2-fluorobenzenesulfonamide
CID 61721031
4-amino-2-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzenesulfonamide
CID 62527790
4-amino-2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527962
4-amino-2-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 63242765
4-amino-2-fluoro-N-[2-(3-methylcyclohexyl)ethyl]benzenesulfonamide
CID 64223772
4-amino-2-fluoro-N-[2-(4-methylcyclohexyl)ethyl]benzenesulfonamide
CID 64225113
4-amino-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64928800
5-amino-2,3-difluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65102932
5-amino-2,4-difluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65102934
4-amino-2-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65102988

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide (CID 65115478) is 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide is CCC1CCC(O)(CNS(=O)(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide?
The InChIKey is NMETZWPBSUIENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-2-12-7-9-15(18,10-8-12)11-17-21(19,20)14-5-3-13(16)4-6-14/h3-6,12,17-18H,2,7-11,16H2,1H3.
What are the key properties of 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide?
4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide has a molecular weight of 312.43 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 65115478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).