4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide

C11H15FN2O2S — CID 79190765

IUPAC4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NC2CCC2)c(F)c1
InChIInChI=1S/C11H15FN2O2S/c12-10-6-8(7-13)4-5-11(10)17(15,16)14-9-2-1-3-9/h4-6,9,14H,1-3,7,13H2
InChIKeyCVYDUDWUJZTLHL-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.12
Rot. Bonds4

About 4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide

4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide (PubChem CID 79190765) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide
PubChem CID79190765
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NC2CCC2)c(F)c1
InChIInChI=1S/C11H15FN2O2S/c12-10-6-8(7-13)4-5-11(10)17(15,16)14-9-2-1-3-9/h4-6,9,14H,1-3,7,13H2
InChIKeyCVYDUDWUJZTLHL-UHFFFAOYSA-N
XLogP1.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 79190542
4-(aminomethyl)-N-(3-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106068638
5-(aminomethyl)-N-cyclopentyl-2,3-difluorobenzenesulfonamide
CID 105120152
4-(aminomethyl)-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106002905
4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 106074086
4-(aminomethyl)-N-(2,3-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
CID 106069126
5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106053054
2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027547
4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide
CID 116528049
5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
CID 28717716
2-fluoro-4-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000991
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide (CID 79190765) is 4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide is NCc1ccc(S(=O)(=O)NC2CCC2)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide?
The InChIKey is CVYDUDWUJZTLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c12-10-6-8(7-13)4-5-11(10)17(15,16)14-9-2-1-3-9/h4-6,9,14H,1-3,7,13H2.
What are the key properties of 4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide?
4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide has a molecular weight of 258.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 79190765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).