4-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide

C16H15N3O2S — CID 10245060

IUPAC4-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C16H15N3O2S/c1-13-7-9-15(10-8-13)22(20,21)18-16-11-12-17-19(16)14-5-3-2-4-6-14/h2-12,18H,1H3
InChIKeyVVUQNTKYPPFMID-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.98
Rot. Bonds4

About 4-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide

4-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide (PubChem CID 10245060) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
PubChem CID10245060
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name4-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C16H15N3O2S/c1-13-7-9-15(10-8-13)22(20,21)18-16-11-12-17-19(16)14-5-3-2-4-6-14/h2-12,18H,1H3
InChIKeyVVUQNTKYPPFMID-UHFFFAOYSA-N
XLogP2.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide (CID 10245060) is 4-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is VVUQNTKYPPFMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-13-7-9-15(10-8-13)22(20,21)18-16-11-12-17-19(16)14-5-3-2-4-6-14/h2-12,18H,1H3.
What are the key properties of 4-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
4-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 10245060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).