2-amino-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide

C13H19FN2O2S — CID 43371512

IUPAC2-amino-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
SMILESNc1cc(F)ccc1S(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C13H19FN2O2S/c14-11-6-7-13(12(15)8-11)19(17,18)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9,15H2
InChIKeyYBSZQCANJNUFLB-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.27
Rot. Bonds4

About 2-amino-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide

2-amino-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide (PubChem CID 43371512) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-amino-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
PubChem CID43371512
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name2-amino-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
SMILESNc1cc(F)ccc1S(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C13H19FN2O2S/c14-11-6-7-13(12(15)8-11)19(17,18)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9,15H2
InChIKeyYBSZQCANJNUFLB-UHFFFAOYSA-N
XLogP2.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide (CID 43371512) is 2-amino-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide is Nc1cc(F)ccc1S(=O)(=O)NCC1CCCCC1.
What is the InChIKey of 2-amino-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide?
The InChIKey is YBSZQCANJNUFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c14-11-6-7-13(12(15)8-11)19(17,18)16-9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9,15H2.
What are the key properties of 2-amino-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide?
2-amino-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide has a molecular weight of 286.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 43371512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).