2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide

C12H19FN2O4S — CID 43605994

IUPAC2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
SMILESCNCCCNS(=O)(=O)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C12H19FN2O4S/c1-14-5-4-6-15-20(16,17)12-8-11(19-3)10(18-2)7-9(12)13/h7-8,14-15H,4-6H2,1-3H3
InChIKeyUXDICESUYDCZPM-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.73
Rot. Bonds8

About 2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide

2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide (PubChem CID 43605994) has the molecular formula C12H19FN2O4S and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
PubChem CID43605994
Molecular FormulaC12H19FN2O4S
Molecular Weight306.36 g/mol
Exact Mass306.10
IUPAC Name2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
SMILESCNCCCNS(=O)(=O)c1cc(OC)c(OC)cc1F
InChIInChI=1S/C12H19FN2O4S/c1-14-5-4-6-15-20(16,17)12-8-11(19-3)10(18-2)7-9(12)13/h7-8,14-15H,4-6H2,1-3H3
InChIKeyUXDICESUYDCZPM-UHFFFAOYSA-N
XLogP0.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605995
2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 35320406
2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide
CID 35292091
4-bromo-2,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120707315
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849
2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43602835
2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824947
N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 35324081
4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120707308
2-fluoro-4,5-dimethoxy-N-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120718040
2-fluoro-N-(2-imidazol-1-ylethyl)-4,5-dimethoxybenzenesulfonamide
CID 35309403
2,6-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
CID 120707297

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide (CID 43605994) is 2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide is CNCCCNS(=O)(=O)c1cc(OC)c(OC)cc1F.
What is the InChIKey of 2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide?
The InChIKey is UXDICESUYDCZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O4S/c1-14-5-4-6-15-20(16,17)12-8-11(19-3)10(18-2)7-9(12)13/h7-8,14-15H,4-6H2,1-3H3.
What are the key properties of 2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide?
2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide has a molecular weight of 306.36 g/mol, XLogP of 0.73, 8 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-[3-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 43605994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).