2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide

C12H17FN2O2S — CID 102921048

IUPAC2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCC1)S(=O)(=O)c1cc(F)ccc1CN
InChIInChI=1S/C12H17FN2O2S/c1-15(11-3-2-4-11)18(16,17)12-7-10(13)6-5-9(12)8-14/h5-7,11H,2-4,8,14H2,1H3
InChIKeyLDRJTRANEHRDEX-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.46
Rot. Bonds4

About 2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide

2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide (PubChem CID 102921048) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide
PubChem CID102921048
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCC1)S(=O)(=O)c1cc(F)ccc1CN
InChIInChI=1S/C12H17FN2O2S/c1-15(11-3-2-4-11)18(16,17)12-7-10(13)6-5-9(12)8-14/h5-7,11H,2-4,8,14H2,1H3
InChIKeyLDRJTRANEHRDEX-UHFFFAOYSA-N
XLogP1.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-5-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 102920256
5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 102919775
5-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-4-yl)benzenesulfonamide
CID 102920403
2-[cyclopentyl(methyl)sulfamoyl]-4-fluorobenzoic acid
CID 102919407
N-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 102919837
2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064241
5-amino-N-cyclopentyl-2-ethyl-N-methylbenzenesulfonamide
CID 43266863
2-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-5-fluorobenzenesulfonamide
CID 106060261
2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60545461
2-(aminomethyl)-5-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 102920365
N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 102920747
N-(4-aminocyclohexyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 79121895

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide (CID 102921048) is 2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide is CN(C1CCC1)S(=O)(=O)c1cc(F)ccc1CN.
What is the InChIKey of 2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide?
The InChIKey is LDRJTRANEHRDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-15(11-3-2-4-11)18(16,17)12-7-10(13)6-5-9(12)8-14/h5-7,11H,2-4,8,14H2,1H3.
What are the key properties of 2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide?
2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide has a molecular weight of 272.34 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 102921048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).