2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide

C7H6ClN3O2S — CID 61249256

IUPAC2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide
SMILESN#CCNS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C7H6ClN3O2S/c8-7-5-6(1-3-10-7)14(12,13)11-4-2-9/h1,3,5,11H,4H2
InChIKeyCUWRVUKDSNGMOP-UHFFFAOYSA-N
MW231.66 g/mol
LogP0.54
Rot. Bonds3

About 2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide

2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide (PubChem CID 61249256) has the molecular formula C7H6ClN3O2S and a molecular weight of 231.66 g/mol. Its IUPAC name is 2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide
PubChem CID61249256
Molecular FormulaC7H6ClN3O2S
Molecular Weight231.66 g/mol
Exact Mass230.99
IUPAC Name2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide
SMILESN#CCNS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C7H6ClN3O2S/c8-7-5-6(1-3-10-7)14(12,13)11-4-2-9/h1,3,5,11H,4H2
InChIKeyCUWRVUKDSNGMOP-UHFFFAOYSA-N
XLogP0.54
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.66
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide
CID 106336285
2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide
CID 114132607
4-chloro-N-(cyanomethyl)-3-methylbenzenesulfonamide
CID 82294521
3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid
CID 61249244
2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide
CID 106841570
2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-4-sulfonamide
CID 62524558
2-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-sulfonamide
CID 103292180
2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide
CID 54895536
2-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-sulfonamide
CID 61045796
2-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-sulfonamide
CID 61003109
2-chloro-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 61004005
2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-4-sulfonamide
CID 61250551

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide (CID 61249256) is 2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide is N#CCNS(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide?
The InChIKey is CUWRVUKDSNGMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O2S/c8-7-5-6(1-3-10-7)14(12,13)11-4-2-9/h1,3,5,11H,4H2.
What are the key properties of 2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide?
2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide has a molecular weight of 231.66 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide is sourced from PubChem (CID 61249256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).