2-fluoro-4-(methylaminomethyl)-N-(1-methylcyclohexyl)benzenesulfonamide

C15H23FN2O2S — CID 79179658

IUPAC2-fluoro-4-(methylaminomethyl)-N-(1-methylcyclohexyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC2(C)CCCCC2)c(F)c1
InChIInChI=1S/C15H23FN2O2S/c1-15(8-4-3-5-9-15)18-21(19,20)14-7-6-12(11-17-2)10-13(14)16/h6-7,10,17-18H,3-5,8-9,11H2,1-2H3
InChIKeyAHQDVBPQPWABKW-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.55
Rot. Bonds5

About 2-fluoro-4-(methylaminomethyl)-N-(1-methylcyclohexyl)benzenesulfonamide

2-fluoro-4-(methylaminomethyl)-N-(1-methylcyclohexyl)benzenesulfonamide (PubChem CID 79179658) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-fluoro-4-(methylaminomethyl)-N-(1-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-(methylaminomethyl)-N-(1-methylcyclohexyl)benzenesulfonamide
PubChem CID79179658
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name2-fluoro-4-(methylaminomethyl)-N-(1-methylcyclohexyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC2(C)CCCCC2)c(F)c1
InChIInChI=1S/C15H23FN2O2S/c1-15(8-4-3-5-9-15)18-21(19,20)14-7-6-12(11-17-2)10-13(14)16/h6-7,10,17-18H,3-5,8-9,11H2,1-2H3
InChIKeyAHQDVBPQPWABKW-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(methylaminomethyl)-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113486176
2-fluoro-N-[(1-methoxycyclobutyl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 106091008
2-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79190978
N-(1,1-dioxothiolan-3-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 106059854
N-butyl-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 79189657
4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 102704641
2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 106030969
2-fluoro-4-(methylaminomethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 79190551
2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027547
2-amino-5-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 61364584
1-[3-fluoro-4-(1,4-thiazepan-4-ylsulfonyl)phenyl]-N-methylmethanamine
CID 79189769
N-(1-ethylcyclobutyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704737

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(methylaminomethyl)-N-(1-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-4-(methylaminomethyl)-N-(1-methylcyclohexyl)benzenesulfonamide (CID 79179658) is 2-fluoro-4-(methylaminomethyl)-N-(1-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-(methylaminomethyl)-N-(1-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-(methylaminomethyl)-N-(1-methylcyclohexyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)NC2(C)CCCCC2)c(F)c1.
What is the InChIKey of 2-fluoro-4-(methylaminomethyl)-N-(1-methylcyclohexyl)benzenesulfonamide?
The InChIKey is AHQDVBPQPWABKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-15(8-4-3-5-9-15)18-21(19,20)14-7-6-12(11-17-2)10-13(14)16/h6-7,10,17-18H,3-5,8-9,11H2,1-2H3.
What are the key properties of 2-fluoro-4-(methylaminomethyl)-N-(1-methylcyclohexyl)benzenesulfonamide?
2-fluoro-4-(methylaminomethyl)-N-(1-methylcyclohexyl)benzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.55, 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-(1-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 79179658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).