N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide

C16H15N3O2S — CID 2104462

IUPACN-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C16H15N3O2S/c1-13-12-16(19(17-13)14-8-4-2-5-9-14)18-22(20,21)15-10-6-3-7-11-15/h2-12,18H,1H3
InChIKeyYEUCWDNOSUWAHI-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.98
Rot. Bonds4

About N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide

N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide (PubChem CID 2104462) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
PubChem CID2104462
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C16H15N3O2S/c1-13-12-16(19(17-13)14-8-4-2-5-9-14)18-22(20,21)15-10-6-3-7-11-15/h2-12,18H,1H3
InChIKeyYEUCWDNOSUWAHI-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 N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide (CID 2104462) is N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is YEUCWDNOSUWAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-13-12-16(19(17-13)14-8-4-2-5-9-14)18-22(20,21)15-10-6-3-7-11-15/h2-12,18H,1H3.
What are the key properties of N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide?
N-(5-methyl-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 N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 2104462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).