3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide

C14H21FN2O2S — CID 107325491

IUPAC3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)c(N)c(C)c1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C14H21FN2O2S/c1-9-8-12(15)13(16)10(2)14(9)20(18,19)17-11-6-4-3-5-7-11/h8,11,17H,3-7,16H2,1-2H3
InChIKeyIKKICNONOKGVGV-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.64
Rot. Bonds3

About 3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide

3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107325491) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107325491
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)c(N)c(C)c1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C14H21FN2O2S/c1-9-8-12(15)13(16)10(2)14(9)20(18,19)17-11-6-4-3-5-7-11/h8,11,17H,3-7,16H2,1-2H3
InChIKeyIKKICNONOKGVGV-UHFFFAOYSA-N
XLogP2.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.64
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

N-cycloheptyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326676
5-amino-N-cyclooctyl-3-fluoro-2-methylbenzenesulfonamide
CID 79898896
4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide
CID 7938165
3-amino-N-cyclohexyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107325531
3-amino-N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325826
3-amino-N-(1-cyclopropylbutan-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325853
4-amino-2,6-dibromo-N-cyclooctylbenzenesulfonamide
CID 43258329
4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide
CID 43256833
3-amino-N-cyclobutyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326206
N-cyclobutyl-4-hydrazinyl-2,6-dimethylbenzenesulfonamide
CID 107327980
5-amino-4-bromo-N-cyclooctyl-2-methylbenzenesulfonamide
CID 114624962
3-amino-4-fluoro-2,6-dimethyl-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 107325726

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107325491) is 3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide is Cc1cc(F)c(N)c(C)c1S(=O)(=O)NC1CCCCC1.
What is the InChIKey of 3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is IKKICNONOKGVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-9-8-12(15)13(16)10(2)14(9)20(18,19)17-11-6-4-3-5-7-11/h8,11,17H,3-7,16H2,1-2H3.
What are the key properties of 3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide?
3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107325491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).