3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide

C15H23FN2O2S — CID 63288235

IUPAC3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2ccc(F)c(CN)c2)C1C
InChIInChI=1S/C15H23FN2O2S/c1-10-4-3-5-15(11(10)2)18-21(19,20)13-6-7-14(16)12(8-13)9-17/h6-8,10-11,15,18H,3-5,9,17H2,1-2H3
InChIKeyYWHVALUYTWBQBB-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.39
Rot. Bonds4

About 3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide

3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide (PubChem CID 63288235) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
PubChem CID63288235
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2ccc(F)c(CN)c2)C1C
InChIInChI=1S/C15H23FN2O2S/c1-10-4-3-5-15(11(10)2)18-21(19,20)13-6-7-14(16)12(8-13)9-17/h6-8,10-11,15,18H,3-5,9,17H2,1-2H3
InChIKeyYWHVALUYTWBQBB-UHFFFAOYSA-N
XLogP2.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(2-ethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 63288721
2-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-5-fluorobenzenesulfonamide
CID 106060261
3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide
CID 28716664
3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064265
4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11895768
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447
2-amino-N-(2,3-dimethylcyclohexyl)pyridine-4-sulfonamide
CID 55044375
4-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 42958006
4-(difluoromethylsulfonyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 98672836
2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064241
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 11880721
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2,6-difluorobenzenesulfonamide
CID 11928435

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide (CID 63288235) is 3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide is CC1CCCC(NS(=O)(=O)c2ccc(F)c(CN)c2)C1C.
What is the InChIKey of 3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide?
The InChIKey is YWHVALUYTWBQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-10-4-3-5-15(11(10)2)18-21(19,20)13-6-7-14(16)12(8-13)9-17/h6-8,10-11,15,18H,3-5,9,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide?
3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63288235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).