N-(3-aminopropyl)-3-(2,5-difluorophenyl)sulfonyl-N-methylpropanamide

C13H18F2N2O3S — CID 64697008

IUPACN-(3-aminopropyl)-3-(2,5-difluorophenyl)sulfonyl-N-methylpropanamide
SMILESCN(CCCN)C(=O)CCS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2O3S/c1-17(7-2-6-16)13(18)5-8-21(19,20)12-9-10(14)3-4-11(12)15/h3-4,9H,2,5-8,16H2,1H3
InChIKeyPNCZGKNJUWNVQJ-UHFFFAOYSA-N
MW320.36 g/mol
LogP0.94
Rot. Bonds7

About N-(3-aminopropyl)-3-(2,5-difluorophenyl)sulfonyl-N-methylpropanamide

N-(3-aminopropyl)-3-(2,5-difluorophenyl)sulfonyl-N-methylpropanamide (PubChem CID 64697008) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(2,5-difluorophenyl)sulfonyl-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(2,5-difluorophenyl)sulfonyl-N-methylpropanamide
PubChem CID64697008
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC NameN-(3-aminopropyl)-3-(2,5-difluorophenyl)sulfonyl-N-methylpropanamide
SMILESCN(CCCN)C(=O)CCS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H18F2N2O3S/c1-17(7-2-6-16)13(18)5-8-21(19,20)12-9-10(14)3-4-11(12)15/h3-4,9H,2,5-8,16H2,1H3
InChIKeyPNCZGKNJUWNVQJ-UHFFFAOYSA-N
XLogP0.94
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-aminopropyl)-3-(2,5-difluorophenyl)sulfonyl-N-methylpropanamide 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)-3-(4-chlorophenyl)sulfonyl-N-methylpropanamide
CID 64698778
4-(2,5-difluorophenyl)sulfonylbutan-1-amine
CID 64697007
3-(2,5-difluorophenyl)sulfonylpropanoic acid
CID 16774065
N-(3-aminopropyl)-2-(2,5-difluorophenyl)sulfinyl-N-methylacetamide
CID 81328265
N-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide
CID 62785960
N-[(2,4-difluorophenyl)methyl]-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 31840738
N-(3-aminopropyl)-3-[benzyl(methyl)amino]-N-methylpropanamide
CID 43253618
N-(3-aminopropyl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 115318995
N-(3-aminopropyl)-2-(2,4-difluorophenyl)sulfinyl-N-methylacetamide
CID 81329251
2-(6-chlorohexylsulfonyl)-1,4-difluorobenzene
CID 62227813
N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206606
4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119267070

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(2,5-difluorophenyl)sulfonyl-N-methylpropanamide?
The IUPAC name of N-(3-aminopropyl)-3-(2,5-difluorophenyl)sulfonyl-N-methylpropanamide (CID 64697008) is N-(3-aminopropyl)-3-(2,5-difluorophenyl)sulfonyl-N-methylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(2,5-difluorophenyl)sulfonyl-N-methylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-3-(2,5-difluorophenyl)sulfonyl-N-methylpropanamide is CN(CCCN)C(=O)CCS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(3-aminopropyl)-3-(2,5-difluorophenyl)sulfonyl-N-methylpropanamide?
The InChIKey is PNCZGKNJUWNVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c1-17(7-2-6-16)13(18)5-8-21(19,20)12-9-10(14)3-4-11(12)15/h3-4,9H,2,5-8,16H2,1H3.
What are the key properties of N-(3-aminopropyl)-3-(2,5-difluorophenyl)sulfonyl-N-methylpropanamide?
N-(3-aminopropyl)-3-(2,5-difluorophenyl)sulfonyl-N-methylpropanamide has a molecular weight of 320.36 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(2,5-difluorophenyl)sulfonyl-N-methylpropanamide is sourced from PubChem (CID 64697008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).