6-chloro-N-(2-pyridin-4-ylethyl)pyridine-3-sulfonamide

C12H12ClN3O2S — CID 54944076

IUPAC6-chloro-N-(2-pyridin-4-ylethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCCc1ccncc1)c1ccc(Cl)nc1
InChIInChI=1S/C12H12ClN3O2S/c13-12-2-1-11(9-15-12)19(17,18)16-8-5-10-3-6-14-7-4-10/h1-4,6-7,9,16H,5,8H2
InChIKeySGGSDAGNDMIGCW-UHFFFAOYSA-N
MW297.77 g/mol
LogP1.65
Rot. Bonds5

About 6-chloro-N-(2-pyridin-4-ylethyl)pyridine-3-sulfonamide

6-chloro-N-(2-pyridin-4-ylethyl)pyridine-3-sulfonamide (PubChem CID 54944076) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 6-chloro-N-(2-pyridin-4-ylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2-pyridin-4-ylethyl)pyridine-3-sulfonamide
PubChem CID54944076
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name6-chloro-N-(2-pyridin-4-ylethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCCc1ccncc1)c1ccc(Cl)nc1
InChIInChI=1S/C12H12ClN3O2S/c13-12-2-1-11(9-15-12)19(17,18)16-8-5-10-3-6-14-7-4-10/h1-4,6-7,9,16H,5,8H2
InChIKeySGGSDAGNDMIGCW-UHFFFAOYSA-N
XLogP1.65
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 51.65
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

6-chloro-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 4862052
6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
6-chloro-N-(3-pyridin-3-ylpropyl)pyridine-3-sulfonamide
CID 110408505
N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3758461
4-(2-pyridin-4-ylethylsulfamoyl)benzoic acid
CID 60915127
6-chloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-3-sulfonamide
CID 26948560
6-chloro-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107317222
6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 28828807
5-chloro-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-sulfonamide
CID 64608644
6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 826869
N-[2-[(6-chloro-3-pyridinyl)sulfonylamino]ethyl]acetamide
CID 26943001
4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 82844779

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-pyridin-4-ylethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(2-pyridin-4-ylethyl)pyridine-3-sulfonamide (CID 54944076) is 6-chloro-N-(2-pyridin-4-ylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2-pyridin-4-ylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(2-pyridin-4-ylethyl)pyridine-3-sulfonamide is O=S(=O)(NCCc1ccncc1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2-pyridin-4-ylethyl)pyridine-3-sulfonamide?
The InChIKey is SGGSDAGNDMIGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c13-12-2-1-11(9-15-12)19(17,18)16-8-5-10-3-6-14-7-4-10/h1-4,6-7,9,16H,5,8H2.
What are the key properties of 6-chloro-N-(2-pyridin-4-ylethyl)pyridine-3-sulfonamide?
6-chloro-N-(2-pyridin-4-ylethyl)pyridine-3-sulfonamide has a molecular weight of 297.77 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-pyridin-4-ylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 54944076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).