N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide

C11H14F2N2O2S — CID 61350715

IUPACN-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide
SMILESNCCN(C1CC1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2N2O2S/c12-10-4-3-9(7-11(10)13)18(16,17)15(6-5-14)8-1-2-8/h3-4,7-8H,1-2,5-6,14H2
InChIKeyXHOQYMBSJKUUBV-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.08
Rot. Bonds5

About N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide

N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide (PubChem CID 61350715) has the molecular formula C11H14F2N2O2S and a molecular weight of 276.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide
PubChem CID61350715
Molecular FormulaC11H14F2N2O2S
Molecular Weight276.31 g/mol
Exact Mass276.07
IUPAC NameN-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide
SMILESNCCN(C1CC1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2N2O2S/c12-10-4-3-9(7-11(10)13)18(16,17)15(6-5-14)8-1-2-8/h3-4,7-8H,1-2,5-6,14H2
InChIKeyXHOQYMBSJKUUBV-UHFFFAOYSA-N
XLogP1.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-N-cyclopropyl-3,4-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

N-(3-aminopropyl)-N-cyclobutyl-3,4-difluorobenzenesulfonamide
CID 102874362
N-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide
CID 79113666
N-(2-aminoethyl)-N-cyclopropyl-2-fluoro-5-methylsulfonylbenzenesulfonamide
CID 61350717
N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide
CID 28708327
3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 63288985
2-[cyclopentyl-(3,4-difluorophenyl)sulfonylamino]acetic acid
CID 60828784
N-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide
CID 43136997
3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61109405
4-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-fluorobenzenesulfonamide
CID 82843646
N-(2-aminoethyl)-N-cyclopentyl-4-methylbenzenesulfonamide
CID 63765049
3-amino-N-cyclopentyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140188
N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzenesulfonamide
CID 102874463

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide (CID 61350715) is N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide is NCCN(C1CC1)S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide?
The InChIKey is XHOQYMBSJKUUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2S/c12-10-4-3-9(7-11(10)13)18(16,17)15(6-5-14)8-1-2-8/h3-4,7-8H,1-2,5-6,14H2.
What are the key properties of N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide?
N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide has a molecular weight of 276.31 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclopropyl-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 61350715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).