3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide

C13H19FN2O3S — CID 106119347

IUPAC3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESNc1cc(F)cc(S(=O)(=O)NCC2CCCC(O)C2)c1
InChIInChI=1S/C13H19FN2O3S/c14-10-5-11(15)7-13(6-10)20(18,19)16-8-9-2-1-3-12(17)4-9/h5-7,9,12,16-17H,1-4,8,15H2
InChIKeyAMTYXJLPSUPVLT-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.24
Rot. Bonds4

About 3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide

3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide (PubChem CID 106119347) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
PubChem CID106119347
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESNc1cc(F)cc(S(=O)(=O)NCC2CCCC(O)C2)c1
InChIInChI=1S/C13H19FN2O3S/c14-10-5-11(15)7-13(6-10)20(18,19)16-8-9-2-1-3-12(17)4-9/h5-7,9,12,16-17H,1-4,8,15H2
InChIKeyAMTYXJLPSUPVLT-UHFFFAOYSA-N
XLogP1.24
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 106126424
5-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 103835856
3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103835805
5-amino-3-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119384
5-amino-3-bromo-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119387
3-amino-2,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119335
5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119339
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 104859262
3-amino-5-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 63322314
4-[(3-hydroxycyclohexyl)methylsulfamoyl]-1-methylpyrrole-2-carboxamide
CID 103835875
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 103835870
4-cyano-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]benzenesulfonamide
CID 97239465

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide (CID 106119347) is 3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide is Nc1cc(F)cc(S(=O)(=O)NCC2CCCC(O)C2)c1.
What is the InChIKey of 3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide?
The InChIKey is AMTYXJLPSUPVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c14-10-5-11(15)7-13(6-10)20(18,19)16-8-9-2-1-3-12(17)4-9/h5-7,9,12,16-17H,1-4,8,15H2.
What are the key properties of 3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide?
3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide has a molecular weight of 302.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106119347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).