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

C11H17FN2O3S — CID 120824888

IUPAC2-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccc(OC)cc1F
InChIInChI=1S/C11H17FN2O3S/c1-8(13-2)7-14-18(15,16)11-5-4-9(17-3)6-10(11)12/h4-6,8,13-14H,7H2,1-3H3
InChIKeyPHPSCBNEJAYLMA-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.72
Rot. Bonds6

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

2-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide (PubChem CID 120824888) has the molecular formula C11H17FN2O3S and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
PubChem CID120824888
Molecular FormulaC11H17FN2O3S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name2-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccc(OC)cc1F
InChIInChI=1S/C11H17FN2O3S/c1-8(13-2)7-14-18(15,16)11-5-4-9(17-3)6-10(11)12/h4-6,8,13-14H,7H2,1-3H3
InChIKeyPHPSCBNEJAYLMA-UHFFFAOYSA-N
XLogP0.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-4-methoxy-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

2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824947
2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825556
2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825289
4-bromo-5-fluoro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825030
3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824953
5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824319
2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824623
5-bromo-4-fluoro-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824901
methyl 2-fluoro-6-[2-(methylamino)propylsulfamoyl]benzoate
CID 120825283
2-fluoro-3-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824589
N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide
CID 120664782
5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824611

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide (CID 120824888) is 2-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide is CNC(C)CNS(=O)(=O)c1ccc(OC)cc1F.
What is the InChIKey of 2-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide?
The InChIKey is PHPSCBNEJAYLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3S/c1-8(13-2)7-14-18(15,16)11-5-4-9(17-3)6-10(11)12/h4-6,8,13-14H,7H2,1-3H3.
What are the key properties of 2-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide?
2-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide has a molecular weight of 276.33 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 120824888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).