3-amino-5-fluoro-N,4-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide

C15H23FN2O2S — CID 116791589

IUPAC3-amino-5-fluoro-N,4-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)N(C)C2CCCCC2C)cc1F
InChIInChI=1S/C15H23FN2O2S/c1-10-6-4-5-7-15(10)18(3)21(19,20)12-8-13(16)11(2)14(17)9-12/h8-10,15H,4-7,17H2,1-3H3
InChIKeyYUPXZFRYSVGAQG-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.92
Rot. Bonds3

About 3-amino-5-fluoro-N,4-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide

3-amino-5-fluoro-N,4-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide (PubChem CID 116791589) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-amino-5-fluoro-N,4-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N,4-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
PubChem CID116791589
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name3-amino-5-fluoro-N,4-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)N(C)C2CCCCC2C)cc1F
InChIInChI=1S/C15H23FN2O2S/c1-10-6-4-5-7-15(10)18(3)21(19,20)12-8-13(16)11(2)14(17)9-12/h8-10,15H,4-7,17H2,1-3H3
InChIKeyYUPXZFRYSVGAQG-UHFFFAOYSA-N
XLogP2.92
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
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 3-amino-5-fluoro-N,4-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-N,4-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide (CID 116791589) is 3-amino-5-fluoro-N,4-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-N,4-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-N,4-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide is Cc1c(N)cc(S(=O)(=O)N(C)C2CCCCC2C)cc1F.
What is the InChIKey of 3-amino-5-fluoro-N,4-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide?
The InChIKey is YUPXZFRYSVGAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-10-6-4-5-7-15(10)18(3)21(19,20)12-8-13(16)11(2)14(17)9-12/h8-10,15H,4-7,17H2,1-3H3.
What are the key properties of 3-amino-5-fluoro-N,4-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide?
3-amino-5-fluoro-N,4-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N,4-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 116791589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).