4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide

C14H21FN2O2S — CID 64732843

IUPAC4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide
SMILESCC1CC(C)CC(NS(=O)(=O)c2ccc(N)cc2F)C1
InChIInChI=1S/C14H21FN2O2S/c1-9-5-10(2)7-12(6-9)17-20(18,19)14-4-3-11(16)8-13(14)15/h3-4,8-10,12,17H,5-7,16H2,1-2H3
InChIKeySLLLISAYLLMWEE-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.51
Rot. Bonds3

About 4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide

4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide (PubChem CID 64732843) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide
PubChem CID64732843
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide
SMILESCC1CC(C)CC(NS(=O)(=O)c2ccc(N)cc2F)C1
InChIInChI=1S/C14H21FN2O2S/c1-9-5-10(2)7-12(6-9)17-20(18,19)14-4-3-11(16)8-13(14)15/h3-4,8-10,12,17H,5-7,16H2,1-2H3
InChIKeySLLLISAYLLMWEE-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide 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

5-amino-N-(3,5-dimethylcyclohexyl)-2-methylbenzenesulfonamide
CID 64732456
4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467087
2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 115672165
4-amino-2-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79352947
5-amino-3-chloro-2-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467079
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclobutyl)benzenesulfonamide
CID 116529174
4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide
CID 64733233
3-amino-2,4-dimethyl-N-(3-methylcyclobutyl)benzenesulfonamide
CID 114240440
3-amino-N-(3,5-dimethylcyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 79885079
5-amino-2,4-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542830
4-amino-2-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213542
4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 114502894

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide (CID 64732843) is 4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide is CC1CC(C)CC(NS(=O)(=O)c2ccc(N)cc2F)C1.
What is the InChIKey of 4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide?
The InChIKey is SLLLISAYLLMWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-9-5-10(2)7-12(6-9)17-20(18,19)14-4-3-11(16)8-13(14)15/h3-4,8-10,12,17H,5-7,16H2,1-2H3.
What are the key properties of 4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide?
4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 64732843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).