3-amino-N-(2-ethylbutyl)-5-fluoro-4-methoxybenzenesulfonamide

C13H21FN2O3S — CID 114626258

IUPAC3-amino-N-(2-ethylbutyl)-5-fluoro-4-methoxybenzenesulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1cc(N)c(OC)c(F)c1
InChIInChI=1S/C13H21FN2O3S/c1-4-9(5-2)8-16-20(17,18)10-6-11(14)13(19-3)12(15)7-10/h6-7,9,16H,4-5,8,15H2,1-3H3
InChIKeyJBLZCNADCDJVKU-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.13
Rot. Bonds7

About 3-amino-N-(2-ethylbutyl)-5-fluoro-4-methoxybenzenesulfonamide

3-amino-N-(2-ethylbutyl)-5-fluoro-4-methoxybenzenesulfonamide (PubChem CID 114626258) has the molecular formula C13H21FN2O3S and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-amino-N-(2-ethylbutyl)-5-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-ethylbutyl)-5-fluoro-4-methoxybenzenesulfonamide
PubChem CID114626258
Molecular FormulaC13H21FN2O3S
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC Name3-amino-N-(2-ethylbutyl)-5-fluoro-4-methoxybenzenesulfonamide
SMILESCCC(CC)CNS(=O)(=O)c1cc(N)c(OC)c(F)c1
InChIInChI=1S/C13H21FN2O3S/c1-4-9(5-2)8-16-20(17,18)10-6-11(14)13(19-3)12(15)7-10/h6-7,9,16H,4-5,8,15H2,1-3H3
InChIKeyJBLZCNADCDJVKU-UHFFFAOYSA-N
XLogP2.13
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-ethyl-4-hydroxybutyl)-5-fluoro-4-methoxybenzenesulfonamide
CID 114625939
3-amino-5-fluoro-N-(2-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 114626199
3-amino-5-fluoro-4-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102694383
3-amino-5-fluoro-4-methoxy-N-(2-sulfamoylethyl)benzenesulfonamide
CID 114625133
ethyl 2-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]acetate
CID 114625222
3-amino-5-fluoro-4-methoxy-N-(3-methylsulfinylbutyl)benzenesulfonamide
CID 114626195
3-amino-5-fluoro-4-methoxy-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106327940
3-amino-5-fluoro-4-methoxy-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 114624949
(3-amino-5-fluoro-4-methoxyphenyl)sulfonylurea
CID 114626312
5-[(3-amino-5-fluoro-4-methoxyphenyl)sulfonylamino]pentanamide
CID 106233682
3-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-4-methoxybenzenesulfonamide
CID 114626124
3-amino-5-fluoro-N-(4-hydroxybutan-2-yl)-4-methoxybenzenesulfonamide
CID 114626060

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethylbutyl)-5-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-ethylbutyl)-5-fluoro-4-methoxybenzenesulfonamide (CID 114626258) is 3-amino-N-(2-ethylbutyl)-5-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-ethylbutyl)-5-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-ethylbutyl)-5-fluoro-4-methoxybenzenesulfonamide is CCC(CC)CNS(=O)(=O)c1cc(N)c(OC)c(F)c1.
What is the InChIKey of 3-amino-N-(2-ethylbutyl)-5-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is JBLZCNADCDJVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O3S/c1-4-9(5-2)8-16-20(17,18)10-6-11(14)13(19-3)12(15)7-10/h6-7,9,16H,4-5,8,15H2,1-3H3.
What are the key properties of 3-amino-N-(2-ethylbutyl)-5-fluoro-4-methoxybenzenesulfonamide?
3-amino-N-(2-ethylbutyl)-5-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 304.39 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethylbutyl)-5-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 114626258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).