N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide

C17H28N2O3S — CID 59316910

IUPACN-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide
SMILESNCCC(O)c1cccc(NS(=O)(=O)CCC2CCCCC2)c1
InChIInChI=1S/C17H28N2O3S/c18-11-9-17(20)15-7-4-8-16(13-15)19-23(21,22)12-10-14-5-2-1-3-6-14/h4,7-8,13-14,17,19-20H,1-3,5-6,9-12,18H2
InChIKeyLPFZNFRPKLORFG-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.78
Rot. Bonds8

About N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide

N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide (PubChem CID 59316910) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide
PubChem CID59316910
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC NameN-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide
SMILESNCCC(O)c1cccc(NS(=O)(=O)CCC2CCCCC2)c1
InChIInChI=1S/C17H28N2O3S/c18-11-9-17(20)15-7-4-8-16(13-15)19-23(21,22)12-10-14-5-2-1-3-6-14/h4,7-8,13-14,17,19-20H,1-3,5-6,9-12,18H2
InChIKeyLPFZNFRPKLORFG-UHFFFAOYSA-N
XLogP2.78
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide?
The IUPAC name of N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide (CID 59316910) is N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide.
What is the SMILES notation for N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide?
The canonical SMILES for N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide is NCCC(O)c1cccc(NS(=O)(=O)CCC2CCCCC2)c1.
What is the InChIKey of N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide?
The InChIKey is LPFZNFRPKLORFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S/c18-11-9-17(20)15-7-4-8-16(13-15)19-23(21,22)12-10-14-5-2-1-3-6-14/h4,7-8,13-14,17,19-20H,1-3,5-6,9-12,18H2.
What are the key properties of N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide?
N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide has a molecular weight of 340.49 g/mol, XLogP of 2.78, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-amino-1-hydroxypropyl)phenyl]-2-cyclohexylethanesulfonamide is sourced from PubChem (CID 59316910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).