N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C12H15N3O2S — CID 804168

IUPACN-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H15N3O2S/c1-9-12(10(2)15(3)13-9)14-18(16,17)11-7-5-4-6-8-11/h4-8,14H,1-3H3
InChIKeyIIVBNXICDXKVBQ-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.84
Rot. Bonds3

About N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 804168) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID804168
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H15N3O2S/c1-9-12(10(2)15(3)13-9)14-18(16,17)11-7-5-4-6-8-11/h4-8,14H,1-3H3
InChIKeyIIVBNXICDXKVBQ-UHFFFAOYSA-N
XLogP1.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 804168) is N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is IIVBNXICDXKVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-9-12(10(2)15(3)13-9)14-18(16,17)11-7-5-4-6-8-11/h4-8,14H,1-3H3.
What are the key properties of N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 804168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).