5-amino-N-(2-ethylhexyl)-4-fluoro-2-methylbenzenesulfonamide

C15H25FN2O2S — CID 107819725

IUPAC5-amino-N-(2-ethylhexyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1cc(N)c(F)cc1C
InChIInChI=1S/C15H25FN2O2S/c1-4-6-7-12(5-2)10-18-21(19,20)15-9-14(17)13(16)8-11(15)3/h8-9,12,18H,4-7,10,17H2,1-3H3
InChIKeySVOGWTRWNOOVCS-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.21
Rot. Bonds8

About 5-amino-N-(2-ethylhexyl)-4-fluoro-2-methylbenzenesulfonamide

5-amino-N-(2-ethylhexyl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 107819725) has the molecular formula C15H25FN2O2S and a molecular weight of 316.44 g/mol. Its IUPAC name is 5-amino-N-(2-ethylhexyl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-ethylhexyl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID107819725
Molecular FormulaC15H25FN2O2S
Molecular Weight316.44 g/mol
Exact Mass316.16
IUPAC Name5-amino-N-(2-ethylhexyl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1cc(N)c(F)cc1C
InChIInChI=1S/C15H25FN2O2S/c1-4-6-7-12(5-2)10-18-21(19,20)15-9-14(17)13(16)8-11(15)3/h8-9,12,18H,4-7,10,17H2,1-3H3
InChIKeySVOGWTRWNOOVCS-UHFFFAOYSA-N
XLogP3.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide
CID 107819740
4-chloro-N-(2-ethylhexyl)-2,5-dimethylbenzenesulfonamide
CID 19681669
5-(aminomethyl)-N-(2-ethylhexyl)-2-methylbenzenesulfonamide
CID 107818750
3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide
CID 107816800
5-amino-2,4-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113601
5-(aminomethyl)-N-(2-ethylhexyl)-2-fluorobenzenesulfonamide
CID 107818702
N-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide
CID 5144200
5-amino-2-chloro-4-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113557
4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine
CID 107819815
5-amino-N-(3-ethyl-2-hydroxypentyl)-2,4-difluorobenzenesulfonamide
CID 106284143
N-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 19681666
4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide
CID 107819726

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-ethylhexyl)-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(2-ethylhexyl)-4-fluoro-2-methylbenzenesulfonamide (CID 107819725) is 5-amino-N-(2-ethylhexyl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2-ethylhexyl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2-ethylhexyl)-4-fluoro-2-methylbenzenesulfonamide is CCCCC(CC)CNS(=O)(=O)c1cc(N)c(F)cc1C.
What is the InChIKey of 5-amino-N-(2-ethylhexyl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is SVOGWTRWNOOVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2S/c1-4-6-7-12(5-2)10-18-21(19,20)15-9-14(17)13(16)8-11(15)3/h8-9,12,18H,4-7,10,17H2,1-3H3.
What are the key properties of 5-amino-N-(2-ethylhexyl)-4-fluoro-2-methylbenzenesulfonamide?
5-amino-N-(2-ethylhexyl)-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 316.44 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-ethylhexyl)-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 107819725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).