5-(aminomethyl)-N-(2-ethylhexyl)-2-fluorobenzenesulfonamide

C15H25FN2O2S — CID 107818702

IUPAC5-(aminomethyl)-N-(2-ethylhexyl)-2-fluorobenzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1cc(CN)ccc1F
InChIInChI=1S/C15H25FN2O2S/c1-3-5-6-12(4-2)11-18-21(19,20)15-9-13(10-17)7-8-14(15)16/h7-9,12,18H,3-6,10-11,17H2,1-2H3
InChIKeyLZHGXFXBTWIADJ-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.78
Rot. Bonds9

About 5-(aminomethyl)-N-(2-ethylhexyl)-2-fluorobenzenesulfonamide

5-(aminomethyl)-N-(2-ethylhexyl)-2-fluorobenzenesulfonamide (PubChem CID 107818702) has the molecular formula C15H25FN2O2S and a molecular weight of 316.44 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-ethylhexyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-ethylhexyl)-2-fluorobenzenesulfonamide
PubChem CID107818702
Molecular FormulaC15H25FN2O2S
Molecular Weight316.44 g/mol
Exact Mass316.16
IUPAC Name5-(aminomethyl)-N-(2-ethylhexyl)-2-fluorobenzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1cc(CN)ccc1F
InChIInChI=1S/C15H25FN2O2S/c1-3-5-6-12(4-2)11-18-21(19,20)15-9-13(10-17)7-8-14(15)16/h7-9,12,18H,3-6,10-11,17H2,1-2H3
InChIKeyLZHGXFXBTWIADJ-UHFFFAOYSA-N
XLogP2.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-(2-ethylhexyl)-2-methylbenzenesulfonamide
CID 107818750
4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107816801
3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107818703
5-amino-N-(2-ethylhexyl)-4-fluoro-2-methylbenzenesulfonamide
CID 107819725
4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide
CID 107819740
5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide
CID 106068482
5-(aminomethyl)-2-fluoro-N-(5-methylsulfanylpentyl)benzenesulfonamide
CID 106093679
5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 106079096
4-chloro-N-(2-ethylhexyl)-2,5-dimethylbenzenesulfonamide
CID 19681669
N-(2-ethylhexyl)-2,5-dimethoxybenzenesulfonamide
CID 19681648
5-(aminomethyl)-2-fluoro-N,N-dipropylbenzenesulfonamide
CID 28716397
5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28716292

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-ethylhexyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-ethylhexyl)-2-fluorobenzenesulfonamide (CID 107818702) is 5-(aminomethyl)-N-(2-ethylhexyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-ethylhexyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-ethylhexyl)-2-fluorobenzenesulfonamide is CCCCC(CC)CNS(=O)(=O)c1cc(CN)ccc1F.
What is the InChIKey of 5-(aminomethyl)-N-(2-ethylhexyl)-2-fluorobenzenesulfonamide?
The InChIKey is LZHGXFXBTWIADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2S/c1-3-5-6-12(4-2)11-18-21(19,20)15-9-13(10-17)7-8-14(15)16/h7-9,12,18H,3-6,10-11,17H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(2-ethylhexyl)-2-fluorobenzenesulfonamide?
5-(aminomethyl)-N-(2-ethylhexyl)-2-fluorobenzenesulfonamide has a molecular weight of 316.44 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-ethylhexyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 107818702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).