2-chloro-N-(2-cyanoethyl)-N-ethylpyridine-3-sulfonamide

C10H12ClN3O2S — CID 61046475

IUPAC2-chloro-N-(2-cyanoethyl)-N-ethylpyridine-3-sulfonamide
SMILESCCN(CCC#N)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C10H12ClN3O2S/c1-2-14(8-4-6-12)17(15,16)9-5-3-7-13-10(9)11/h3,5,7H,2,4,8H2,1H3
InChIKeyRIFQDLQFWMLCAF-UHFFFAOYSA-N
MW273.75 g/mol
LogP1.66
Rot. Bonds5

About 2-chloro-N-(2-cyanoethyl)-N-ethylpyridine-3-sulfonamide

2-chloro-N-(2-cyanoethyl)-N-ethylpyridine-3-sulfonamide (PubChem CID 61046475) has the molecular formula C10H12ClN3O2S and a molecular weight of 273.75 g/mol. Its IUPAC name is 2-chloro-N-(2-cyanoethyl)-N-ethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyanoethyl)-N-ethylpyridine-3-sulfonamide
PubChem CID61046475
Molecular FormulaC10H12ClN3O2S
Molecular Weight273.75 g/mol
Exact Mass273.03
IUPAC Name2-chloro-N-(2-cyanoethyl)-N-ethylpyridine-3-sulfonamide
SMILESCCN(CCC#N)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C10H12ClN3O2S/c1-2-14(8-4-6-12)17(15,16)9-5-3-7-13-10(9)11/h3,5,7H,2,4,8H2,1H3
InChIKeyRIFQDLQFWMLCAF-UHFFFAOYSA-N
XLogP1.66
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 51.66
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-ethyl-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 54948785
2-chloro-N-(2-ethoxyethyl)-N-ethylpyridine-3-sulfonamide
CID 55226922
2-amino-N,N-bis(2-cyanoethyl)pyridine-3-sulfonamide
CID 65427998
2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398331
N-(2-cyanoethyl)-N-ethylnaphthalene-1-sulfonamide
CID 115684154
2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61045189
4-amino-2-chloro-N-(2-cyanoethyl)-N-ethylbenzenesulfonamide
CID 61138325
2-amino-4-chloro-N-(2-cyanoethyl)-N-ethylbenzenesulfonamide
CID 61140226
2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide
CID 43456976
N,N-bis(2-cyanoethyl)-3-fluoropyridine-2-sulfonamide
CID 103299443
2-[(2-chloro-3-pyridinyl)sulfonyl-ethylamino]-2-methylpropanoic acid
CID 62817489
2-chloro-N-ethyl-N-(3-hydroxyphenyl)pyridine-3-sulfonamide
CID 103223846

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyanoethyl)-N-ethylpyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(2-cyanoethyl)-N-ethylpyridine-3-sulfonamide (CID 61046475) is 2-chloro-N-(2-cyanoethyl)-N-ethylpyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2-cyanoethyl)-N-ethylpyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(2-cyanoethyl)-N-ethylpyridine-3-sulfonamide is CCN(CCC#N)S(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2-cyanoethyl)-N-ethylpyridine-3-sulfonamide?
The InChIKey is RIFQDLQFWMLCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2S/c1-2-14(8-4-6-12)17(15,16)9-5-3-7-13-10(9)11/h3,5,7H,2,4,8H2,1H3.
What are the key properties of 2-chloro-N-(2-cyanoethyl)-N-ethylpyridine-3-sulfonamide?
2-chloro-N-(2-cyanoethyl)-N-ethylpyridine-3-sulfonamide has a molecular weight of 273.75 g/mol, XLogP of 1.66, 5 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-ethylpyridine-3-sulfonamide is sourced from PubChem (CID 61046475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).