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

C15H26N2O2S — CID 107816801

IUPAC4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C15H26N2O2S/c1-3-5-6-13(4-2)12-17-20(18,19)15-9-7-14(11-16)8-10-15/h7-10,13,17H,3-6,11-12,16H2,1-2H3
InChIKeyQHGFULPQHBBACE-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.64
Rot. Bonds9

About 4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide

4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide (PubChem CID 107816801) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
PubChem CID107816801
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C15H26N2O2S/c1-3-5-6-13(4-2)12-17-20(18,19)15-9-7-14(11-16)8-10-15/h7-10,13,17H,3-6,11-12,16H2,1-2H3
InChIKeyQHGFULPQHBBACE-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

3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107818703
5-(aminomethyl)-N-(2-ethylhexyl)-2-methylbenzenesulfonamide
CID 107818750
5-(aminomethyl)-N-(2-ethylhexyl)-2-fluorobenzenesulfonamide
CID 107818702
N-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide
CID 20769759
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide
CID 133164771
4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide
CID 107819740
3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide
CID 107816800
N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide
CID 42955218
N-(2-ethylbutyl)-4-propylbenzenesulfonamide
CID 115613302
4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide
CID 107819726
N-(2-ethylhexyl)pyridine-3-sulfonamide
CID 60548932
N-[(2S)-2-ethylhexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 35396653

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide (CID 107816801) is 4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide is CCCCC(CC)CNS(=O)(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide?
The InChIKey is QHGFULPQHBBACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-3-5-6-13(4-2)12-17-20(18,19)15-9-7-14(11-16)8-10-15/h7-10,13,17H,3-6,11-12,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide?
4-(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 4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide is sourced from PubChem (CID 107816801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).