2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide

C14H21FN2O2S — CID 62406259

IUPAC2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1c(N)cccc1F)C1CCCCC1
InChIInChI=1S/C14H21FN2O2S/c1-10(11-6-3-2-4-7-11)17-20(18,19)14-12(15)8-5-9-13(14)16/h5,8-11,17H,2-4,6-7,16H2,1H3
InChIKeyIUINYVHVDCJWFO-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.65
Rot. Bonds4

About 2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide

2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide (PubChem CID 62406259) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide
PubChem CID62406259
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1c(N)cccc1F)C1CCCCC1
InChIInChI=1S/C14H21FN2O2S/c1-10(11-6-3-2-4-7-11)17-20(18,19)14-12(15)8-5-9-13(14)16/h5,8-11,17H,2-4,6-7,16H2,1H3
InChIKeyIUINYVHVDCJWFO-UHFFFAOYSA-N
XLogP2.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.65
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

2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide
CID 62407142
N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide
CID 8817126
3-amino-N-(1-cyclohexylethyl)benzenesulfonamide
CID 62406253
2,6-dichloro-N-(1-cyclobutylethyl)benzenesulfonamide
CID 75469798
2,6-dichloro-N-[(1S)-1-cyclobutylethyl]benzenesulfonamide
CID 97327429
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63012952
2-amino-6-fluoro-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64602215
3-amino-N-(1-cyclobutylethyl)-2,5,6-trimethylbenzenesulfonamide
CID 106505416
2-amino-6-fluoro-N-(oxan-3-yl)benzenesulfonamide
CID 55189317
3-fluoro-2-propan-2-ylsulfonylaniline
CID 130526460

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide (CID 62406259) is 2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide is CC(NS(=O)(=O)c1c(N)cccc1F)C1CCCCC1.
What is the InChIKey of 2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide?
The InChIKey is IUINYVHVDCJWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-10(11-6-3-2-4-7-11)17-20(18,19)14-12(15)8-5-9-13(14)16/h5,8-11,17H,2-4,6-7,16H2,1H3.
What are the key properties of 2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide?
2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide is sourced from PubChem (CID 62406259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).