N-(2-ethylhexyl)pyridine-3-sulfonamide

C13H22N2O2S — CID 60548932

IUPACN-(2-ethylhexyl)pyridine-3-sulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1cccnc1
InChIInChI=1S/C13H22N2O2S/c1-3-5-7-12(4-2)10-15-18(16,17)13-8-6-9-14-11-13/h6,8-9,11-12,15H,3-5,7,10H2,1-2H3
InChIKeyDJDWXNSXCICZBR-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.58
Rot. Bonds8

About N-(2-ethylhexyl)pyridine-3-sulfonamide

N-(2-ethylhexyl)pyridine-3-sulfonamide (PubChem CID 60548932) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-(2-ethylhexyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)pyridine-3-sulfonamide
PubChem CID60548932
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-(2-ethylhexyl)pyridine-3-sulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1cccnc1
InChIInChI=1S/C13H22N2O2S/c1-3-5-7-12(4-2)10-15-18(16,17)13-8-6-9-14-11-13/h6,8-9,11-12,15H,3-5,7,10H2,1-2H3
InChIKeyDJDWXNSXCICZBR-UHFFFAOYSA-N
XLogP2.58
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-ethylbutyl)pyridine-3-sulfonamide
CID 114298822
N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide
CID 42955218
3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107818703
N-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide
CID 97225499
N-propylpyridine-3-sulfonamide
CID 43258995
4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107816801
N-[2-(diethylamino)propyl]pyridine-3-sulfonamide
CID 60548624
N-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide
CID 20769759
N-[(2S)-2-ethylhexyl]pyridine-3-carboxamide
CID 2165504
3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide
CID 107816800
4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide
CID 107819740
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide
CID 133164771

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)pyridine-3-sulfonamide?
The IUPAC name of N-(2-ethylhexyl)pyridine-3-sulfonamide (CID 60548932) is N-(2-ethylhexyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-ethylhexyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-ethylhexyl)pyridine-3-sulfonamide is CCCCC(CC)CNS(=O)(=O)c1cccnc1.
What is the InChIKey of N-(2-ethylhexyl)pyridine-3-sulfonamide?
The InChIKey is DJDWXNSXCICZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-3-5-7-12(4-2)10-15-18(16,17)13-8-6-9-14-11-13/h6,8-9,11-12,15H,3-5,7,10H2,1-2H3.
What are the key properties of N-(2-ethylhexyl)pyridine-3-sulfonamide?
N-(2-ethylhexyl)pyridine-3-sulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)pyridine-3-sulfonamide is sourced from PubChem (CID 60548932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).