N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrazole-4-sulfonamide

C10H10Cl2N4O2S — CID 114051204

IUPACN-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrazole-4-sulfonamide
SMILESCc1cc(Cl)nc(Cl)c1NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C10H10Cl2N4O2S/c1-6-3-8(11)14-10(12)9(6)15-19(17,18)7-4-13-16(2)5-7/h3-5,15H,1-2H3
InChIKeyKHDAKBCCRKLHAD-UHFFFAOYSA-N
MW321.19 g/mol
LogP2.23
Rot. Bonds3

About N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrazole-4-sulfonamide

N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 114051204) has the molecular formula C10H10Cl2N4O2S and a molecular weight of 321.19 g/mol. Its IUPAC name is N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrazole-4-sulfonamide
PubChem CID114051204
Molecular FormulaC10H10Cl2N4O2S
Molecular Weight321.19 g/mol
Exact Mass319.99
IUPAC NameN-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrazole-4-sulfonamide
SMILESCc1cc(Cl)nc(Cl)c1NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C10H10Cl2N4O2S/c1-6-3-8(11)14-10(12)9(6)15-19(17,18)7-4-13-16(2)5-7/h3-5,15H,1-2H3
InChIKeyKHDAKBCCRKLHAD-UHFFFAOYSA-N
XLogP2.23
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrazole-4-sulfonamide (CID 114051204) is N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrazole-4-sulfonamide is Cc1cc(Cl)nc(Cl)c1NS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is KHDAKBCCRKLHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4O2S/c1-6-3-8(11)14-10(12)9(6)15-19(17,18)7-4-13-16(2)5-7/h3-5,15H,1-2H3.
What are the key properties of N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrazole-4-sulfonamide?
N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 321.19 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-methyl-3-pyridinyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 114051204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).