2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-sulfonamide

C11H13ClN4O2S — CID 107462605

IUPAC2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-sulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H13ClN4O2S/c1-3-9-10(7-16(2)14-9)15-19(17,18)8-4-5-13-11(12)6-8/h4-7,15H,3H2,1-2H3
InChIKeyHGJKOERQUMOQQC-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.83
Rot. Bonds4

About 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-sulfonamide

2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-sulfonamide (PubChem CID 107462605) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-sulfonamide
PubChem CID107462605
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC Name2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-sulfonamide
SMILESCCc1nn(C)cc1NS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H13ClN4O2S/c1-3-9-10(7-16(2)14-9)15-19(17,18)8-4-5-13-11(12)6-8/h4-7,15H,3H2,1-2H3
InChIKeyHGJKOERQUMOQQC-UHFFFAOYSA-N
XLogP1.83
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107463815
5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-6-(methylamino)pyridine-3-sulfonamide
CID 107464615
3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)benzenesulfonamide
CID 107462568
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-4-methoxybenzenesulfonamide
CID 107462034
3-(aminomethyl)-N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 107462572
N-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 107464429
N-(3-ethyl-1-methylpyrazol-4-yl)-4-(2-hydroxyethyl)benzenesulfonamide
CID 106000585
4-[(3-ethyl-1-methylpyrazol-4-yl)sulfamoyl]benzenecarbothioamide
CID 107463279
2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-sulfonamide
CID 61053156
N-(3-ethyl-1-methylpyrazol-4-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106090340
3-ethyl-N-(ethylsulfonimidoyl)-1-methylpyrazol-4-amine
CID 164648393
5-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 107462000

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-sulfonamide (CID 107462605) is 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-sulfonamide is CCc1nn(C)cc1NS(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-sulfonamide?
The InChIKey is HGJKOERQUMOQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c1-3-9-10(7-16(2)14-9)15-19(17,18)8-4-5-13-11(12)6-8/h4-7,15H,3H2,1-2H3.
What are the key properties of 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-sulfonamide?
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-sulfonamide has a molecular weight of 300.77 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-sulfonamide is sourced from PubChem (CID 107462605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).