2-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-sulfonamide

C9H10ClN3O2S — CID 61003109

IUPAC2-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-sulfonamide
SMILESCN(CCC#N)S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C9H10ClN3O2S/c1-13(6-2-4-11)16(14,15)8-3-5-12-9(10)7-8/h3,5,7H,2,6H2,1H3
InChIKeyYFBXCVMIAWJLHB-UHFFFAOYSA-N
MW259.72 g/mol
LogP1.27
Rot. Bonds4

About 2-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-sulfonamide

2-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-sulfonamide (PubChem CID 61003109) has the molecular formula C9H10ClN3O2S and a molecular weight of 259.72 g/mol. Its IUPAC name is 2-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-sulfonamide
PubChem CID61003109
Molecular FormulaC9H10ClN3O2S
Molecular Weight259.72 g/mol
Exact Mass259.02
IUPAC Name2-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-sulfonamide
SMILESCN(CCC#N)S(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C9H10ClN3O2S/c1-13(6-2-4-11)16(14,15)8-3-5-12-9(10)7-8/h3,5,7H,2,6H2,1H3
InChIKeyYFBXCVMIAWJLHB-UHFFFAOYSA-N
XLogP1.27
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.72
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-cyanopropyl)-N-methylpyridine-4-sulfonamide
CID 61046101
4-chloro-N-(2-cyanoethyl)-N,3-dimethylbenzenesulfonamide
CID 39371978
2-chloro-N-methyl-N-(3-phenylpropyl)pyridine-4-sulfonamide
CID 61053398
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 61051895
2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide
CID 61249256
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
CID 61435899
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-sulfonamide
CID 61050922
N-(2-cyanoethyl)-2-hydrazinyl-N-methylquinoline-6-sulfonamide
CID 43456727
N-(2-cyanoethyl)-N-cyclopropyl-2-(methylamino)pyridine-4-sulfonamide
CID 62158783
N-(2-hydroxyethyl)-N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62146541
5-[2-cyanoethyl(methyl)sulfamoyl]-2-methoxybenzoic acid
CID 43323996
2-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylpyridine-4-sulfonamide
CID 61047563

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-sulfonamide (CID 61003109) is 2-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-sulfonamide is CN(CCC#N)S(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-sulfonamide?
The InChIKey is YFBXCVMIAWJLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2S/c1-13(6-2-4-11)16(14,15)8-3-5-12-9(10)7-8/h3,5,7H,2,6H2,1H3.
What are the key properties of 2-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-sulfonamide?
2-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-sulfonamide has a molecular weight of 259.72 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-sulfonamide is sourced from PubChem (CID 61003109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).