N-(2-ethylcyclohexyl)-2-(methylamino)pyridine-4-sulfonamide

C14H23N3O2S — CID 62153282

IUPACN-(2-ethylcyclohexyl)-2-(methylamino)pyridine-4-sulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)c1ccnc(NC)c1
InChIInChI=1S/C14H23N3O2S/c1-3-11-6-4-5-7-13(11)17-20(18,19)12-8-9-16-14(10-12)15-2/h8-11,13,17H,3-7H2,1-2H3,(H,15,16)
InChIKeyYJINEDLWBYVBNO-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.37
Rot. Bonds5

About N-(2-ethylcyclohexyl)-2-(methylamino)pyridine-4-sulfonamide

N-(2-ethylcyclohexyl)-2-(methylamino)pyridine-4-sulfonamide (PubChem CID 62153282) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-2-(methylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-2-(methylamino)pyridine-4-sulfonamide
PubChem CID62153282
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-(2-ethylcyclohexyl)-2-(methylamino)pyridine-4-sulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)c1ccnc(NC)c1
InChIInChI=1S/C14H23N3O2S/c1-3-11-6-4-5-7-13(11)17-20(18,19)12-8-9-16-14(10-12)15-2/h8-11,13,17H,3-7H2,1-2H3,(H,15,16)
InChIKeyYJINEDLWBYVBNO-UHFFFAOYSA-N
XLogP2.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-2-(methylamino)pyridine-4-sulfonamide?
The IUPAC name of N-(2-ethylcyclohexyl)-2-(methylamino)pyridine-4-sulfonamide (CID 62153282) is N-(2-ethylcyclohexyl)-2-(methylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-(2-ethylcyclohexyl)-2-(methylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-(2-ethylcyclohexyl)-2-(methylamino)pyridine-4-sulfonamide is CCC1CCCCC1NS(=O)(=O)c1ccnc(NC)c1.
What is the InChIKey of N-(2-ethylcyclohexyl)-2-(methylamino)pyridine-4-sulfonamide?
The InChIKey is YJINEDLWBYVBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-11-6-4-5-7-13(11)17-20(18,19)12-8-9-16-14(10-12)15-2/h8-11,13,17H,3-7H2,1-2H3,(H,15,16).
What are the key properties of N-(2-ethylcyclohexyl)-2-(methylamino)pyridine-4-sulfonamide?
N-(2-ethylcyclohexyl)-2-(methylamino)pyridine-4-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-2-(methylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 62153282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).