N-(1-cyclobutylethyl)-3-fluoro-2-methyl-5-(methylaminomethyl)benzenesulfonamide

C15H23FN2O2S — CID 106084830

IUPACN-(1-cyclobutylethyl)-3-fluoro-2-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(F)c(C)c(S(=O)(=O)NC(C)C2CCC2)c1
InChIInChI=1S/C15H23FN2O2S/c1-10-14(16)7-12(9-17-3)8-15(10)21(19,20)18-11(2)13-5-4-6-13/h7-8,11,13,17-18H,4-6,9H2,1-3H3
InChIKeyRIRAZPUDDBANKN-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.32
Rot. Bonds6

About N-(1-cyclobutylethyl)-3-fluoro-2-methyl-5-(methylaminomethyl)benzenesulfonamide

N-(1-cyclobutylethyl)-3-fluoro-2-methyl-5-(methylaminomethyl)benzenesulfonamide (PubChem CID 106084830) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-3-fluoro-2-methyl-5-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-3-fluoro-2-methyl-5-(methylaminomethyl)benzenesulfonamide
PubChem CID106084830
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC NameN-(1-cyclobutylethyl)-3-fluoro-2-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(F)c(C)c(S(=O)(=O)NC(C)C2CCC2)c1
InChIInChI=1S/C15H23FN2O2S/c1-10-14(16)7-12(9-17-3)8-15(10)21(19,20)18-11(2)13-5-4-6-13/h7-8,11,13,17-18H,4-6,9H2,1-3H3
InChIKeyRIRAZPUDDBANKN-UHFFFAOYSA-N
XLogP2.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079677
3-fluoro-N-hexan-3-yl-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106055381
N-(1-cyclobutylethyl)-4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106084928
N-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106084917
5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide
CID 106066036
3-fluoro-2-methyl-5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082235
N-(1-cyclopentylethyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106066120
2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 106066089
4-(aminomethyl)-N-(1-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997153
N-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 114142335
2,3-difluoro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053788
2-bromo-N-(1-cyclobutylethyl)-4-fluorobenzenesulfonamide
CID 113338285

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-3-fluoro-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(1-cyclobutylethyl)-3-fluoro-2-methyl-5-(methylaminomethyl)benzenesulfonamide (CID 106084830) is N-(1-cyclobutylethyl)-3-fluoro-2-methyl-5-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-cyclobutylethyl)-3-fluoro-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(1-cyclobutylethyl)-3-fluoro-2-methyl-5-(methylaminomethyl)benzenesulfonamide is CNCc1cc(F)c(C)c(S(=O)(=O)NC(C)C2CCC2)c1.
What is the InChIKey of N-(1-cyclobutylethyl)-3-fluoro-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
The InChIKey is RIRAZPUDDBANKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-10-14(16)7-12(9-17-3)8-15(10)21(19,20)18-11(2)13-5-4-6-13/h7-8,11,13,17-18H,4-6,9H2,1-3H3.
What are the key properties of N-(1-cyclobutylethyl)-3-fluoro-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
N-(1-cyclobutylethyl)-3-fluoro-2-methyl-5-(methylaminomethyl)benzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-3-fluoro-2-methyl-5-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106084830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).