4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide

C14H23FN2O2S — CID 107819740

IUPAC4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C14H23FN2O2S/c1-3-5-6-11(4-2)10-17-20(18,19)12-7-8-14(16)13(15)9-12/h7-9,11,17H,3-6,10,16H2,1-2H3
InChIKeyMMDTTZITWVDCEH-UHFFFAOYSA-N
MW302.41 g/mol
LogP2.90
Rot. Bonds8

About 4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide

4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide (PubChem CID 107819740) has the molecular formula C14H23FN2O2S and a molecular weight of 302.41 g/mol. Its IUPAC name is 4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide
PubChem CID107819740
Molecular FormulaC14H23FN2O2S
Molecular Weight302.41 g/mol
Exact Mass302.15
IUPAC Name4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C14H23FN2O2S/c1-3-5-6-11(4-2)10-17-20(18,19)12-7-8-14(16)13(15)9-12/h7-9,11,17H,3-6,10,16H2,1-2H3
InChIKeyMMDTTZITWVDCEH-UHFFFAOYSA-N
XLogP2.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.90
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

3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide
CID 107816800
4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide
CID 107819726
5-amino-N-(2-ethylhexyl)-4-fluoro-2-methylbenzenesulfonamide
CID 107819725
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82843843
4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107816801
N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide
CID 42955218
3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107818703
4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide
CID 107819850
N-[(2S)-2-ethylhexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 35396653
N-(2-ethylhexyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
CID 20858663
5-(aminomethyl)-N-(2-ethylhexyl)-2-fluorobenzenesulfonamide
CID 107818702
N-[5-(2-ethylhexylsulfamoyl)-2-methylsulfanylphenyl]acetamide
CID 133164856

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide (CID 107819740) is 4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide is CCCCC(CC)CNS(=O)(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide?
The InChIKey is MMDTTZITWVDCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2S/c1-3-5-6-11(4-2)10-17-20(18,19)12-7-8-14(16)13(15)9-12/h7-9,11,17H,3-6,10,16H2,1-2H3.
What are the key properties of 4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide?
4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide has a molecular weight of 302.41 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 107819740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).