5,6-dichloro-N-cyclopentyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide

C12H16Cl2N2O3S — CID 64607444

IUPAC5,6-dichloro-N-cyclopentyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1cnc(Cl)c(Cl)c1)N(CCO)C1CCCC1
InChIInChI=1S/C12H16Cl2N2O3S/c13-11-7-10(8-15-12(11)14)20(18,19)16(5-6-17)9-3-1-2-4-9/h7-9,17H,1-6H2
InChIKeySNIYCNMHZQAHNF-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.31
Rot. Bonds5

About 5,6-dichloro-N-cyclopentyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide

5,6-dichloro-N-cyclopentyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide (PubChem CID 64607444) has the molecular formula C12H16Cl2N2O3S and a molecular weight of 339.24 g/mol. Its IUPAC name is 5,6-dichloro-N-cyclopentyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-cyclopentyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
PubChem CID64607444
Molecular FormulaC12H16Cl2N2O3S
Molecular Weight339.24 g/mol
Exact Mass338.03
IUPAC Name5,6-dichloro-N-cyclopentyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1cnc(Cl)c(Cl)c1)N(CCO)C1CCCC1
InChIInChI=1S/C12H16Cl2N2O3S/c13-11-7-10(8-15-12(11)14)20(18,19)16(5-6-17)9-3-1-2-4-9/h7-9,17H,1-6H2
InChIKeySNIYCNMHZQAHNF-UHFFFAOYSA-N
XLogP2.31
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-3-sulfonamide
CID 102870293
6-chloro-N-cyclohexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61046307
5,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-sulfonamide
CID 64606326
2-chloro-4-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide
CID 102862562
5,6-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-sulfonamide
CID 64608208
3-amino-N-cyclopentyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140188
2-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 102675724
2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 102859200
4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675801
5,6-dichloro-N-methyl-N-(oxan-4-yl)pyridine-3-sulfonamide
CID 64607393
2,5-dichloro-N-cyclobutyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 102675869
2-[4-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60950282

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-cyclopentyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-cyclopentyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide (CID 64607444) is 5,6-dichloro-N-cyclopentyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-cyclopentyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-cyclopentyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide is O=S(=O)(c1cnc(Cl)c(Cl)c1)N(CCO)C1CCCC1.
What is the InChIKey of 5,6-dichloro-N-cyclopentyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide?
The InChIKey is SNIYCNMHZQAHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3S/c13-11-7-10(8-15-12(11)14)20(18,19)16(5-6-17)9-3-1-2-4-9/h7-9,17H,1-6H2.
What are the key properties of 5,6-dichloro-N-cyclopentyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide?
5,6-dichloro-N-cyclopentyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide has a molecular weight of 339.24 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-cyclopentyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64607444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).