5-(aminomethyl)-2,3-difluoro-N-(3-methylbutyl)benzenesulfonamide

C12H18F2N2O2S — CID 106059156

IUPAC5-(aminomethyl)-2,3-difluoro-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCNS(=O)(=O)c1cc(CN)cc(F)c1F
InChIInChI=1S/C12H18F2N2O2S/c1-8(2)3-4-16-19(17,18)11-6-9(7-15)5-10(13)12(11)14/h5-6,8,16H,3-4,7,15H2,1-2H3
InChIKeyWJJSTPGQJNWMPK-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.75
Rot. Bonds6

About 5-(aminomethyl)-2,3-difluoro-N-(3-methylbutyl)benzenesulfonamide

5-(aminomethyl)-2,3-difluoro-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 106059156) has the molecular formula C12H18F2N2O2S and a molecular weight of 292.35 g/mol. Its IUPAC name is 5-(aminomethyl)-2,3-difluoro-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2,3-difluoro-N-(3-methylbutyl)benzenesulfonamide
PubChem CID106059156
Molecular FormulaC12H18F2N2O2S
Molecular Weight292.35 g/mol
Exact Mass292.11
IUPAC Name5-(aminomethyl)-2,3-difluoro-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCNS(=O)(=O)c1cc(CN)cc(F)c1F
InChIInChI=1S/C12H18F2N2O2S/c1-8(2)3-4-16-19(17,18)11-6-9(7-15)5-10(13)12(11)14/h5-6,8,16H,3-4,7,15H2,1-2H3
InChIKeyWJJSTPGQJNWMPK-UHFFFAOYSA-N
XLogP1.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(aminomethyl)-2,3-difluoro-N-(3-methylbutyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(aminomethyl)-N-(2,3-dimethylbutyl)-2,3-difluorobenzenesulfonamide
CID 105122469
5-(aminomethyl)-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106029984
5-(aminomethyl)-3-bromo-2-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 106059205
3,4-difluoro-5-(3-methylbutylsulfamoyl)benzoic acid
CID 104654322
5-(aminomethyl)-N-(2-cyclopropylethyl)-2,3-difluorobenzenesulfonamide
CID 105122632
5-(aminomethyl)-2,3-difluoro-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079695
3-amino-2,4-difluoro-N-(3-methylbutyl)benzenesulfonamide
CID 107343096
2-fluoro-5-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 114132457
5-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-2,3-difluorobenzenesulfonamide
CID 106084642
5-amino-2-fluoro-3-methyl-N-(4-methylpentyl)benzenesulfonamide
CID 80646485
3,4-difluoro-5-(4-methylpentylsulfamoyl)benzoic acid
CID 104654442
3-(aminomethyl)-4-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 28716883

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,3-difluoro-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2,3-difluoro-N-(3-methylbutyl)benzenesulfonamide (CID 106059156) is 5-(aminomethyl)-2,3-difluoro-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2,3-difluoro-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2,3-difluoro-N-(3-methylbutyl)benzenesulfonamide is CC(C)CCNS(=O)(=O)c1cc(CN)cc(F)c1F.
What is the InChIKey of 5-(aminomethyl)-2,3-difluoro-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is WJJSTPGQJNWMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2S/c1-8(2)3-4-16-19(17,18)11-6-9(7-15)5-10(13)12(11)14/h5-6,8,16H,3-4,7,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2,3-difluoro-N-(3-methylbutyl)benzenesulfonamide?
5-(aminomethyl)-2,3-difluoro-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 292.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,3-difluoro-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 106059156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).