N-(2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide

C16H15N3O2S — CID 20914788

IUPACN-(2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H15N3O2S/c1-13-5-2-3-6-16(13)18-22(20,21)15-9-7-14(8-10-15)19-12-4-11-17-19/h2-12,18H,1H3
InChIKeyKHRQFXQCCWXLEW-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.98
Rot. Bonds4

About N-(2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide

N-(2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 20914788) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID20914788
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-(2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H15N3O2S/c1-13-5-2-3-6-16(13)18-22(20,21)15-9-7-14(8-10-15)19-12-4-11-17-19/h2-12,18H,1H3
InChIKeyKHRQFXQCCWXLEW-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-(2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide (CID 20914788) is N-(2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is KHRQFXQCCWXLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-13-5-2-3-6-16(13)18-22(20,21)15-9-7-14(8-10-15)19-12-4-11-17-19/h2-12,18H,1H3.
What are the key properties of N-(2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide?
N-(2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide 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-(2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 20914788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).