6-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid

C13H18N2O5S — CID 63872606

IUPAC6-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N(CCO)C2CCCC2)nc1
InChIInChI=1S/C13H18N2O5S/c16-8-7-15(11-3-1-2-4-11)21(19,20)12-6-5-10(9-14-12)13(17)18/h5-6,9,11,16H,1-4,7-8H2,(H,17,18)
InChIKeyCHUOBXKBKFDEQW-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.71
Rot. Bonds6

About 6-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid

6-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid (PubChem CID 63872606) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 6-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid
PubChem CID63872606
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name6-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N(CCO)C2CCCC2)nc1
InChIInChI=1S/C13H18N2O5S/c16-8-7-15(11-3-1-2-4-11)21(19,20)12-6-5-10(9-14-12)13(17)18/h5-6,9,11,16H,1-4,7-8H2,(H,17,18)
InChIKeyCHUOBXKBKFDEQW-UHFFFAOYSA-N
XLogP0.71
TPSA107.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[cyclobutyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid
CID 102861024
6-[cyclopentyl(methyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63872028
5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]thiophene-3-carboxylic acid
CID 60950128
3-[cyclobutyl(2-hydroxyethyl)sulfamoyl]-4-fluorobenzoic acid
CID 102861058
6-[methyl-(4-methylcyclohexyl)sulfamoyl]pyridine-3-carboxylic acid
CID 63874679
5-[cyclohexyl(2-hydroxyethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60951851
3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]-4-methylbenzoic acid
CID 43578757
4-chloro-3-[cyclopropyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 43578756
6-chloro-N-cyclohexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61046307
6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid
CID 54995273
6-[3-(dimethylamino)propyl-methylsulfamoyl]pyridine-3-carboxylic acid
CID 63872994
2-[4-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60950282

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid (CID 63872606) is 6-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)N(CCO)C2CCCC2)nc1.
What is the InChIKey of 6-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid?
The InChIKey is CHUOBXKBKFDEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c16-8-7-15(11-3-1-2-4-11)21(19,20)12-6-5-10(9-14-12)13(17)18/h5-6,9,11,16H,1-4,7-8H2,(H,17,18).
What are the key properties of 6-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid?
6-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid has a molecular weight of 314.36 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63872606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).