N-(5-methyl-1H-pyrazol-3-yl)-2-phenylethenesulfonamide

C12H13N3O2S — CID 78952322

IUPACN-(5-methyl-1H-pyrazol-3-yl)-2-phenylethenesulfonamide
SMILESCc1cc(NS(=O)(=O)C=Cc2ccccc2)n[nH]1
InChIInChI=1S/C12H13N3O2S/c1-10-9-12(14-13-10)15-18(16,17)8-7-11-5-3-2-4-6-11/h2-9H,1H3,(H2,13,14,15)
InChIKeyBLOFVNBJYKFNSB-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.13
Rot. Bonds4

About N-(5-methyl-1H-pyrazol-3-yl)-2-phenylethenesulfonamide

N-(5-methyl-1H-pyrazol-3-yl)-2-phenylethenesulfonamide (PubChem CID 78952322) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-2-phenylethenesulfonamide
PubChem CID78952322
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-2-phenylethenesulfonamide
SMILESCc1cc(NS(=O)(=O)C=Cc2ccccc2)n[nH]1
InChIInChI=1S/C12H13N3O2S/c1-10-9-12(14-13-10)15-18(16,17)8-7-11-5-3-2-4-6-11/h2-9H,1H3,(H2,13,14,15)
InChIKeyBLOFVNBJYKFNSB-UHFFFAOYSA-N
XLogP2.13
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-phenylethenesulfonamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-phenylethenesulfonamide (CID 78952322) is N-(5-methyl-1H-pyrazol-3-yl)-2-phenylethenesulfonamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-2-phenylethenesulfonamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-2-phenylethenesulfonamide is Cc1cc(NS(=O)(=O)C=Cc2ccccc2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-2-phenylethenesulfonamide?
The InChIKey is BLOFVNBJYKFNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-10-9-12(14-13-10)15-18(16,17)8-7-11-5-3-2-4-6-11/h2-9H,1H3,(H2,13,14,15).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-2-phenylethenesulfonamide?
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylethenesulfonamide has a molecular weight of 263.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-2-phenylethenesulfonamide is sourced from PubChem (CID 78952322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).