3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide

C15H26N2O2S — CID 107818703

IUPAC3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C15H26N2O2S/c1-3-5-7-13(4-2)12-17-20(18,19)15-9-6-8-14(10-15)11-16/h6,8-10,13,17H,3-5,7,11-12,16H2,1-2H3
InChIKeySNZJXBWDTHQCFY-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.64
Rot. Bonds9

About 3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide

3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide (PubChem CID 107818703) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
PubChem CID107818703
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C15H26N2O2S/c1-3-5-7-13(4-2)12-17-20(18,19)15-9-6-8-14(10-15)11-16/h6,8-10,13,17H,3-5,7,11-12,16H2,1-2H3
InChIKeySNZJXBWDTHQCFY-UHFFFAOYSA-N
XLogP2.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107816801
N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide
CID 42955218
5-(aminomethyl)-N-(2-ethylhexyl)-2-methylbenzenesulfonamide
CID 107818750
5-(aminomethyl)-N-(2-ethylhexyl)-2-fluorobenzenesulfonamide
CID 107818702
4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide
CID 107819740
3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide
CID 107816800
3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115406483
N-(2-ethylhexyl)pyridine-3-sulfonamide
CID 60548932
4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide
CID 107819726
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
3-(butylsulfamoyl)-N-(2-ethylhexyl)benzamide
CID 17226785

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide (CID 107818703) is 3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide is CCCCC(CC)CNS(=O)(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide?
The InChIKey is SNZJXBWDTHQCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-3-5-7-13(4-2)12-17-20(18,19)15-9-6-8-14(10-15)11-16/h6,8-10,13,17H,3-5,7,11-12,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide?
3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide is sourced from PubChem (CID 107818703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).