N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide

C12H15N3O2S — CID 4791928

IUPACN-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
SMILESCC(C)n1nccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H15N3O2S/c1-10(2)15-12(8-9-13-15)14-18(16,17)11-6-4-3-5-7-11/h3-10,14H,1-2H3
InChIKeyKCRGZHIZBLOUJL-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.26
Rot. Bonds4

About N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide

N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide (PubChem CID 4791928) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
PubChem CID4791928
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
SMILESCC(C)n1nccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H15N3O2S/c1-10(2)15-12(8-9-13-15)14-18(16,17)11-6-4-3-5-7-11/h3-10,14H,1-2H3
InChIKeyKCRGZHIZBLOUJL-UHFFFAOYSA-N
XLogP2.26
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide (CID 4791928) is N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide is CC(C)n1nccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is KCRGZHIZBLOUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-10(2)15-12(8-9-13-15)14-18(16,17)11-6-4-3-5-7-11/h3-10,14H,1-2H3.
What are the key properties of N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 4791928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).