1-(2-methylphenyl)pyrazole-4-sulfonyl chloride

C10H9ClN2O2S — CID 43531766

IUPAC1-(2-methylphenyl)pyrazole-4-sulfonyl chloride
SMILESCc1ccccc1-n1cc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C10H9ClN2O2S/c1-8-4-2-3-5-10(8)13-7-9(6-12-13)16(11,14)15/h2-7H,1H3
InChIKeyYTMWMVDJOVJLAT-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.11
Rot. Bonds2

About 1-(2-methylphenyl)pyrazole-4-sulfonyl chloride

1-(2-methylphenyl)pyrazole-4-sulfonyl chloride (PubChem CID 43531766) has the molecular formula C10H9ClN2O2S and a molecular weight of 256.71 g/mol. Its IUPAC name is 1-(2-methylphenyl)pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-methylphenyl)pyrazole-4-sulfonyl chloride
PubChem CID43531766
Molecular FormulaC10H9ClN2O2S
Molecular Weight256.71 g/mol
Exact Mass256.01
IUPAC Name1-(2-methylphenyl)pyrazole-4-sulfonyl chloride
SMILESCc1ccccc1-n1cc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C10H9ClN2O2S/c1-8-4-2-3-5-10(8)13-7-9(6-12-13)16(11,14)15/h2-7H,1H3
InChIKeyYTMWMVDJOVJLAT-UHFFFAOYSA-N
XLogP2.11
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylphenyl)pyrazole-4-sulfonyl chloride 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 1-(2-methylphenyl)pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-(2-methylphenyl)pyrazole-4-sulfonyl chloride (CID 43531766) is 1-(2-methylphenyl)pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-(2-methylphenyl)pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-(2-methylphenyl)pyrazole-4-sulfonyl chloride is Cc1ccccc1-n1cc(S(=O)(=O)Cl)cn1.
What is the InChIKey of 1-(2-methylphenyl)pyrazole-4-sulfonyl chloride?
The InChIKey is YTMWMVDJOVJLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S/c1-8-4-2-3-5-10(8)13-7-9(6-12-13)16(11,14)15/h2-7H,1H3.
What are the key properties of 1-(2-methylphenyl)pyrazole-4-sulfonyl chloride?
1-(2-methylphenyl)pyrazole-4-sulfonyl chloride has a molecular weight of 256.71 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 43531766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).