5-(aminomethyl)-N-(2-cyclopropylethyl)-2,3-difluorobenzenesulfonamide

C12H16F2N2O2S — CID 105122632

IUPAC5-(aminomethyl)-N-(2-cyclopropylethyl)-2,3-difluorobenzenesulfonamide
SMILESNCc1cc(F)c(F)c(S(=O)(=O)NCCC2CC2)c1
InChIInChI=1S/C12H16F2N2O2S/c13-10-5-9(7-15)6-11(12(10)14)19(17,18)16-4-3-8-1-2-8/h5-6,8,16H,1-4,7,15H2
InChIKeyRJSVJQYUEOAXPK-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.50
Rot. Bonds6

About 5-(aminomethyl)-N-(2-cyclopropylethyl)-2,3-difluorobenzenesulfonamide

5-(aminomethyl)-N-(2-cyclopropylethyl)-2,3-difluorobenzenesulfonamide (PubChem CID 105122632) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-cyclopropylethyl)-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-cyclopropylethyl)-2,3-difluorobenzenesulfonamide
PubChem CID105122632
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC Name5-(aminomethyl)-N-(2-cyclopropylethyl)-2,3-difluorobenzenesulfonamide
SMILESNCc1cc(F)c(F)c(S(=O)(=O)NCCC2CC2)c1
InChIInChI=1S/C12H16F2N2O2S/c13-10-5-9(7-15)6-11(12(10)14)19(17,18)16-4-3-8-1-2-8/h5-6,8,16H,1-4,7,15H2
InChIKeyRJSVJQYUEOAXPK-UHFFFAOYSA-N
XLogP1.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(aminomethyl)-N-(2-cyclopropylethyl)-2,3-difluorobenzenesulfonamide 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)-2,3-difluoro-N-(3-methylbutyl)benzenesulfonamide
CID 106059156
5-(aminomethyl)-N-cyclopentyl-2,3-difluorobenzenesulfonamide
CID 105120152
5-(aminomethyl)-N-(2,3-dimethylbutyl)-2,3-difluorobenzenesulfonamide
CID 105122469
5-(aminomethyl)-2,3-difluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016051
4-(aminomethyl)-N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 106997135
5-(aminomethyl)-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106029984
5-(aminomethyl)-N-(cyclohexylmethyl)-3-fluoro-2-methylbenzenesulfonamide
CID 106027797
N-butyl-5-[(cyclopropylamino)methyl]-2,3-difluorobenzenesulfonamide
CID 105120221
5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-2,3-difluorobenzenesulfonamide
CID 105122394
3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide
CID 103050733
3-amino-N-(2-cyclopropylethyl)-2,5-diethylbenzenesulfonamide
CID 107406749
5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-2,3-difluorobenzenesulfonamide
CID 107402876

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-cyclopropylethyl)-2,3-difluorobenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-cyclopropylethyl)-2,3-difluorobenzenesulfonamide (CID 105122632) is 5-(aminomethyl)-N-(2-cyclopropylethyl)-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-cyclopropylethyl)-2,3-difluorobenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-cyclopropylethyl)-2,3-difluorobenzenesulfonamide is NCc1cc(F)c(F)c(S(=O)(=O)NCCC2CC2)c1.
What is the InChIKey of 5-(aminomethyl)-N-(2-cyclopropylethyl)-2,3-difluorobenzenesulfonamide?
The InChIKey is RJSVJQYUEOAXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c13-10-5-9(7-15)6-11(12(10)14)19(17,18)16-4-3-8-1-2-8/h5-6,8,16H,1-4,7,15H2.
What are the key properties of 5-(aminomethyl)-N-(2-cyclopropylethyl)-2,3-difluorobenzenesulfonamide?
5-(aminomethyl)-N-(2-cyclopropylethyl)-2,3-difluorobenzenesulfonamide has a molecular weight of 290.33 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-cyclopropylethyl)-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 105122632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).