2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide

C13H20FNO4S — CID 35292091

IUPAC2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)NCCC(C)C)cc1OC
InChIInChI=1S/C13H20FNO4S/c1-9(2)5-6-15-20(16,17)13-8-12(19-4)11(18-3)7-10(13)14/h7-9,15H,5-6H2,1-4H3
InChIKeyWYBWEHLHQBRYFN-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.17
Rot. Bonds7

About 2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide

2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 35292091) has the molecular formula C13H20FNO4S and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide
PubChem CID35292091
Molecular FormulaC13H20FNO4S
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide
SMILESCOc1cc(F)c(S(=O)(=O)NCCC(C)C)cc1OC
InChIInChI=1S/C13H20FNO4S/c1-9(2)5-6-15-20(16,17)13-8-12(19-4)11(18-3)7-10(13)14/h7-9,15H,5-6H2,1-4H3
InChIKeyWYBWEHLHQBRYFN-UHFFFAOYSA-N
XLogP2.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 35320406
2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605994
2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824947
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
N-(cyclopropylmethyl)-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 35324081
5-bromo-2-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 52821008
3-methoxy-N-(3-methylbutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100702810
2-methoxy-4,6-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 110759544
2-fluoro-5-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 114132457
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 35327742
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119975991

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide (CID 35292091) is 2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide is COc1cc(F)c(S(=O)(=O)NCCC(C)C)cc1OC.
What is the InChIKey of 2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is WYBWEHLHQBRYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO4S/c1-9(2)5-6-15-20(16,17)13-8-12(19-4)11(18-3)7-10(13)14/h7-9,15H,5-6H2,1-4H3.
What are the key properties of 2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide?
2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 305.37 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,5-dimethoxy-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 35292091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).