4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide

C14H21FN2O2S — CID 82843865

IUPAC4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCC2CCCCC2)cc1F
InChIInChI=1S/C14H21FN2O2S/c15-13-10-12(6-7-14(13)16)20(18,19)17-9-8-11-4-2-1-3-5-11/h6-7,10-11,17H,1-5,8-9,16H2
InChIKeyKHJYFJAVGHJHIE-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.66
Rot. Bonds5

About 4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide

4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide (PubChem CID 82843865) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide
PubChem CID82843865
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCC2CCCCC2)cc1F
InChIInChI=1S/C14H21FN2O2S/c15-13-10-12(6-7-14(13)16)20(18,19)17-9-8-11-4-2-1-3-5-11/h6-7,10-11,17H,1-5,8-9,16H2
InChIKeyKHJYFJAVGHJHIE-UHFFFAOYSA-N
XLogP2.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.66
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

3-amino-4-bromo-N-(2-cyclopentylethyl)benzenesulfonamide
CID 115328855
4-amino-N-(2-cyclopentylethyl)-3-nitrobenzenesulfonamide
CID 60920840
4-(2-cyclopentylethylsulfamoyl)benzenesulfonyl fluoride
CID 114958186
N-(2-cyclopropylethyl)-3-fluoro-4-nitrobenzenesulfonamide
CID 82854586
3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895192
4-amino-3-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 82844731
3-amino-N-(2-cyclohexylethyl)-5-methylbenzenesulfonamide
CID 60919745
4-amino-3-fluoro-N-(4-propylcyclohexyl)benzenesulfonamide
CID 82845720
3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide
CID 103050733
N-(3-cyclohexylpropyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 46433666
4-amino-3-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 82844340
4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 82844764

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide (CID 82843865) is 4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide is Nc1ccc(S(=O)(=O)NCCC2CCCCC2)cc1F.
What is the InChIKey of 4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide?
The InChIKey is KHJYFJAVGHJHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c15-13-10-12(6-7-14(13)16)20(18,19)17-9-8-11-4-2-1-3-5-11/h6-7,10-11,17H,1-5,8-9,16H2.
What are the key properties of 4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide?
4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyclohexylethyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 82843865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).