2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide

C15H23FN2O2S — CID 106027547

IUPAC2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC2CCCC(C)C2)c(F)c1
InChIInChI=1S/C15H23FN2O2S/c1-11-4-3-5-13(8-11)18-21(19,20)15-7-6-12(10-17-2)9-14(15)16/h6-7,9,11,13,17-18H,3-5,8,10H2,1-2H3
InChIKeyVGSGEHZTEOYHKW-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.40
Rot. Bonds5

About 2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide

2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide (PubChem CID 106027547) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
PubChem CID106027547
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC2CCCC(C)C2)c(F)c1
InChIInChI=1S/C15H23FN2O2S/c1-11-4-3-5-13(8-11)18-21(19,20)15-7-6-12(10-17-2)9-14(15)16/h6-7,9,11,13,17-18H,3-5,8,10H2,1-2H3
InChIKeyVGSGEHZTEOYHKW-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide
CID 106072492
N-(1,1-dioxothiolan-3-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 106059854
4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide
CID 79190765
4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106068638
2-bromo-4-fluoro-N-(3-methylcyclohexyl)benzenesulfonamide
CID 47257511
2-fluoro-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093867
4-[(cyclopropylamino)methyl]-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
CID 79189663
3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzenesulfonyl chloride
CID 114546471
5-(aminomethyl)-2-bromo-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027504
3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543676
2-fluoro-N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 106091008
4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 79190542

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide (CID 106027547) is 2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)NC2CCCC(C)C2)c(F)c1.
What is the InChIKey of 2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide?
The InChIKey is VGSGEHZTEOYHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-11-4-3-5-13(8-11)18-21(19,20)15-7-6-12(10-17-2)9-14(15)16/h6-7,9,11,13,17-18H,3-5,8,10H2,1-2H3.
What are the key properties of 2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide?
2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 106027547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).