2-[3-(4-chlorophenyl)-5-(2-methylphenyl)pyrazol-1-yl]benzenesulfonamide

C22H18ClN3O2S — CID 67580684

IUPAC2-[3-(4-chlorophenyl)-5-(2-methylphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccccc1-c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C22H18ClN3O2S/c1-15-6-2-3-7-18(15)21-14-19(16-10-12-17(23)13-11-16)25-26(21)20-8-4-5-9-22(20)29(24,27)28/h2-14H,1H3,(H2,24,27,28)
InChIKeyAMYSUPYEZIBMMH-UHFFFAOYSA-N
MW423.93 g/mol
LogP4.82
Rot. Bonds4

About 2-[3-(4-chlorophenyl)-5-(2-methylphenyl)pyrazol-1-yl]benzenesulfonamide

2-[3-(4-chlorophenyl)-5-(2-methylphenyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67580684) has the molecular formula C22H18ClN3O2S and a molecular weight of 423.93 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-5-(2-methylphenyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-5-(2-methylphenyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67580684
Molecular FormulaC22H18ClN3O2S
Molecular Weight423.93 g/mol
Exact Mass423.08
IUPAC Name2-[3-(4-chlorophenyl)-5-(2-methylphenyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccccc1-c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C22H18ClN3O2S/c1-15-6-2-3-7-18(15)21-14-19(16-10-12-17(23)13-11-16)25-26(21)20-8-4-5-9-22(20)29(24,27)28/h2-14H,1H3,(H2,24,27,28)
InChIKeyAMYSUPYEZIBMMH-UHFFFAOYSA-N
XLogP4.82
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.93
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-5-(2-methylphenyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-5-(2-methylphenyl)pyrazol-1-yl]benzenesulfonamide (CID 67580684) is 2-[3-(4-chlorophenyl)-5-(2-methylphenyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-5-(2-methylphenyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-5-(2-methylphenyl)pyrazol-1-yl]benzenesulfonamide is Cc1ccccc1-c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[3-(4-chlorophenyl)-5-(2-methylphenyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is AMYSUPYEZIBMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2S/c1-15-6-2-3-7-18(15)21-14-19(16-10-12-17(23)13-11-16)25-26(21)20-8-4-5-9-22(20)29(24,27)28/h2-14H,1H3,(H2,24,27,28).
What are the key properties of 2-[3-(4-chlorophenyl)-5-(2-methylphenyl)pyrazol-1-yl]benzenesulfonamide?
2-[3-(4-chlorophenyl)-5-(2-methylphenyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 423.93 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-5-(2-methylphenyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67580684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).