6-[(4-ethylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid

C14H20N2O4S — CID 63874696

IUPAC6-[(4-ethylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCCC1CCC(NS(=O)(=O)c2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C14H20N2O4S/c1-2-10-3-6-12(7-4-10)16-21(19,20)13-8-5-11(9-15-13)14(17)18/h5,8-10,12,16H,2-4,6-7H2,1H3,(H,17,18)
InChIKeyKSEPPNWMEKEEJK-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.03
Rot. Bonds5

About 6-[(4-ethylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid

6-[(4-ethylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 63874696) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 6-[(4-ethylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4-ethylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID63874696
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name6-[(4-ethylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESCCC1CCC(NS(=O)(=O)c2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C14H20N2O4S/c1-2-10-3-6-12(7-4-10)16-21(19,20)13-8-5-11(9-15-13)14(17)18/h5,8-10,12,16H,2-4,6-7H2,1H3,(H,17,18)
InChIKeyKSEPPNWMEKEEJK-UHFFFAOYSA-N
XLogP2.03
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(4-ethylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(4-ethylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid (CID 63874696) is 6-[(4-ethylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(4-ethylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(4-ethylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid is CCC1CCC(NS(=O)(=O)c2ccc(C(=O)O)cn2)CC1.
What is the InChIKey of 6-[(4-ethylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is KSEPPNWMEKEEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-2-10-3-6-12(7-4-10)16-21(19,20)13-8-5-11(9-15-13)14(17)18/h5,8-10,12,16H,2-4,6-7H2,1H3,(H,17,18).
What are the key properties of 6-[(4-ethylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid?
6-[(4-ethylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 312.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63874696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).