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

C15H26N2O2S — CID 107816800

IUPAC3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C15H26N2O2S/c1-4-6-7-13(5-2)11-17-20(18,19)14-9-8-12(3)15(16)10-14/h8-10,13,17H,4-7,11,16H2,1-3H3
InChIKeyXFZCCRSLYAYZQV-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.07
Rot. Bonds8

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

3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide (PubChem CID 107816800) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide
PubChem CID107816800
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C15H26N2O2S/c1-4-6-7-13(5-2)11-17-20(18,19)14-9-8-12(3)15(16)10-14/h8-10,13,17H,4-7,11,16H2,1-3H3
InChIKeyXFZCCRSLYAYZQV-UHFFFAOYSA-N
XLogP3.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.07
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-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide
CID 107819726
4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107816801
N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide
CID 42955218
N-(2-ethylbutyl)-3,4-dimethylbenzenesulfonamide
CID 84512808
5-amino-N-(2-ethylhexyl)-4-fluoro-2-methylbenzenesulfonamide
CID 107819725
3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107818703
N-[(2S)-2-ethylhexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 35396653
5-(aminomethyl)-N-(2-ethylhexyl)-2-methylbenzenesulfonamide
CID 107818750
3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324605
N-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide
CID 5144200
N-(2-ethylhexyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
CID 20858663

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide (CID 107816800) is 3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide is CCCCC(CC)CNS(=O)(=O)c1ccc(C)c(N)c1.
What is the InChIKey of 3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide?
The InChIKey is XFZCCRSLYAYZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-6-7-13(5-2)11-17-20(18,19)14-9-8-12(3)15(16)10-14/h8-10,13,17H,4-7,11,16H2,1-3H3.
What are the key properties of 3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide?
3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 107816800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).