2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-sulfonamide

C11H11ClN2O3S2 — CID 104600318

IUPAC2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC(O)c1ccsc1)c1cccnc1Cl
InChIInChI=1S/C11H11ClN2O3S2/c12-11-10(2-1-4-13-11)19(16,17)14-6-9(15)8-3-5-18-7-8/h1-5,7,9,14-15H,6H2
InChIKeyFWBYIVKGAWPMIG-UHFFFAOYSA-N
MW318.81 g/mol
LogP1.81
Rot. Bonds5

About 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-sulfonamide

2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-sulfonamide (PubChem CID 104600318) has the molecular formula C11H11ClN2O3S2 and a molecular weight of 318.81 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-sulfonamide
PubChem CID104600318
Molecular FormulaC11H11ClN2O3S2
Molecular Weight318.81 g/mol
Exact Mass317.99
IUPAC Name2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC(O)c1ccsc1)c1cccnc1Cl
InChIInChI=1S/C11H11ClN2O3S2/c12-11-10(2-1-4-13-11)19(16,17)14-6-9(15)8-3-5-18-7-8/h1-5,7,9,14-15H,6H2
InChIKeyFWBYIVKGAWPMIG-UHFFFAOYSA-N
XLogP1.81
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496558
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 103883843
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide
CID 103771739
2-chloro-N-(2-thiophen-3-ylethyl)pyridine-3-sulfonamide
CID 54953527
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide
CID 75477657
5-chloro-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxybenzenesulfonamide
CID 52906915
5-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylbenzenesulfonamide
CID 106434445
3-chloro-N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzenesulfonamide
CID 122244303
2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 102609400
2-chloro-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide
CID 115763694
2-[(2-chloropyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 103761546
N-(2-hydroxy-2-thiophen-3-ylethyl)-6-nitropyridine-3-sulfonamide
CID 106436200

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-sulfonamide (CID 104600318) is 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-sulfonamide is O=S(=O)(NCC(O)c1ccsc1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-sulfonamide?
The InChIKey is FWBYIVKGAWPMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S2/c12-11-10(2-1-4-13-11)19(16,17)14-6-9(15)8-3-5-18-7-8/h1-5,7,9,14-15H,6H2.
What are the key properties of 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-sulfonamide?
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-sulfonamide has a molecular weight of 318.81 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 104600318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).