3-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide

C15H23FN2O2S — CID 63289031

IUPAC3-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCC(N(C)S(=O)(=O)c2ccc(F)c(CN)c2)C1
InChIInChI=1S/C15H23FN2O2S/c1-11-4-3-5-13(8-11)18(2)21(19,20)14-6-7-15(16)12(9-14)10-17/h6-7,9,11,13H,3-5,8,10,17H2,1-2H3
InChIKeyCGHKUOPFHHMIJM-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.48
Rot. Bonds4

About 3-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide

3-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide (PubChem CID 63289031) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
PubChem CID63289031
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name3-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCC(N(C)S(=O)(=O)c2ccc(F)c(CN)c2)C1
InChIInChI=1S/C15H23FN2O2S/c1-11-4-3-5-13(8-11)18(2)21(19,20)14-6-7-15(16)12(9-14)10-17/h6-7,9,11,13H,3-5,8,10,17H2,1-2H3
InChIKeyCGHKUOPFHHMIJM-UHFFFAOYSA-N
XLogP2.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide (CID 63289031) is 3-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide is CC1CCCC(N(C)S(=O)(=O)c2ccc(F)c(CN)c2)C1.
What is the InChIKey of 3-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide?
The InChIKey is CGHKUOPFHHMIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-11-4-3-5-13(8-11)18(2)21(19,20)14-6-7-15(16)12(9-14)10-17/h6-7,9,11,13H,3-5,8,10,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide?
3-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 63289031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).