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

C16H15N3O2S — CID 67644820

IUPAC2-[4-(2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide
SMILESCc1ccccc1-c1cn[nH]c1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C16H15N3O2S/c1-11-6-2-3-7-12(11)14-10-18-19-16(14)13-8-4-5-9-15(13)22(17,20)21/h2-10H,1H3,(H,18,19)(H2,17,20,21)
InChIKeyXTKHYCXVJZHTDU-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.70
Rot. Bonds3

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

2-[4-(2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide (PubChem CID 67644820) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[4-(2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-(2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide
PubChem CID67644820
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name2-[4-(2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide
SMILESCc1ccccc1-c1cn[nH]c1-c1ccccc1S(N)(=O)=O
InChIInChI=1S/C16H15N3O2S/c1-11-6-2-3-7-12(11)14-10-18-19-16(14)13-8-4-5-9-15(13)22(17,20)21/h2-10H,1H3,(H,18,19)(H2,17,20,21)
InChIKeyXTKHYCXVJZHTDU-UHFFFAOYSA-N
XLogP2.70
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[4-(2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide (CID 67644820) is 2-[4-(2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[4-(2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[4-(2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide is Cc1ccccc1-c1cn[nH]c1-c1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[4-(2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The InChIKey is XTKHYCXVJZHTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-11-6-2-3-7-12(11)14-10-18-19-16(14)13-8-4-5-9-15(13)22(17,20)21/h2-10H,1H3,(H,18,19)(H2,17,20,21).
What are the key properties of 2-[4-(2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
2-[4-(2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 67644820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).