4-(difluoromethoxy)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide

C11H15F3N2O3S — CID 120877054

IUPAC4-(difluoromethoxy)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C11H15F3N2O3S/c1-7(15-2)6-16-20(17,18)8-3-4-10(9(12)5-8)19-11(13)14/h3-5,7,11,15-16H,6H2,1-2H3
InChIKeyKDZXIDIKGIJKIP-UHFFFAOYSA-N
MW312.31 g/mol
LogP1.31
Rot. Bonds7

About 4-(difluoromethoxy)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide

4-(difluoromethoxy)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide (PubChem CID 120877054) has the molecular formula C11H15F3N2O3S and a molecular weight of 312.31 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
PubChem CID120877054
Molecular FormulaC11H15F3N2O3S
Molecular Weight312.31 g/mol
Exact Mass312.08
IUPAC Name4-(difluoromethoxy)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C11H15F3N2O3S/c1-7(15-2)6-16-20(17,18)8-3-4-10(9(12)5-8)19-11(13)14/h3-5,7,11,15-16H,6H2,1-2H3
InChIKeyKDZXIDIKGIJKIP-UHFFFAOYSA-N
XLogP1.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(difluoromethoxy)-3-fluoro-N-[2-(methylamino)propyl]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

3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824953
N-(2-amino-2-ethylbutyl)-4-(difluoromethoxy)-3-fluorobenzenesulfonamide
CID 120875444
3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824781
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
4-(ethylsulfonylamino)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825305
3-fluoro-N-[2-(methylamino)propyl]-4-(propan-2-ylsulfonylamino)benzenesulfonamide;hydrochloride
CID 120825450
(2R)-2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]-3-methylbutanoic acid
CID 120606796
N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310
3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824457
4-(2,2-difluoroethoxy)-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824764
3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65034786
4-methyl-N-[2-(methylamino)propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 120825538

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 4-(difluoromethoxy)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide (CID 120877054) is 4-(difluoromethoxy)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 4-(difluoromethoxy)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide is CNC(C)CNS(=O)(=O)c1ccc(OC(F)F)c(F)c1.
What is the InChIKey of 4-(difluoromethoxy)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide?
The InChIKey is KDZXIDIKGIJKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3S/c1-7(15-2)6-16-20(17,18)8-3-4-10(9(12)5-8)19-11(13)14/h3-5,7,11,15-16H,6H2,1-2H3.
What are the key properties of 4-(difluoromethoxy)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide?
4-(difluoromethoxy)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide has a molecular weight of 312.31 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 120877054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).