2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide

C12H19FN2O4S — CID 120824947

IUPAC2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C12H19FN2O4S/c1-8(14-2)7-15-20(16,17)12-6-11(19-4)10(18-3)5-9(12)13/h5-6,8,14-15H,7H2,1-4H3
InChIKeyWGBZNJYGGCMAND-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.73
Rot. Bonds7

About 2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide

2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide (PubChem CID 120824947) has the molecular formula C12H19FN2O4S and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide
PubChem CID120824947
Molecular FormulaC12H19FN2O4S
Molecular Weight306.36 g/mol
Exact Mass306.10
IUPAC Name2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C12H19FN2O4S/c1-8(14-2)7-15-20(16,17)12-6-11(19-4)10(18-3)5-9(12)13/h5-6,8,14-15H,7H2,1-4H3
InChIKeyWGBZNJYGGCMAND-UHFFFAOYSA-N
XLogP0.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,5-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825556
2,5-difluoro-4-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825289
2-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824888
4-bromo-5-fluoro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825030
2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide
CID 35292091
3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824953
5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824319
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119975991
2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605994
2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 35320406
3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824781
5-bromo-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824611

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide (CID 120824947) is 2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide is CNC(C)CNS(=O)(=O)c1cc(OC)c(OC)cc1F.
What is the InChIKey of 2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide?
The InChIKey is WGBZNJYGGCMAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O4S/c1-8(14-2)7-15-20(16,17)12-6-11(19-4)10(18-3)5-9(12)13/h5-6,8,14-15H,7H2,1-4H3.
What are the key properties of 2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide?
2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide has a molecular weight of 306.36 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 120824947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).