4-tert-butyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide

C14H19N3O2S — CID 2808927

IUPAC4-tert-butyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1nccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H19N3O2S/c1-14(2,3)11-5-7-12(8-6-11)20(18,19)16-13-9-10-15-17(13)4/h5-10,16H,1-4H3
InChIKeyNOPZFLUAIHQOMC-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.52
Rot. Bonds3

About 4-tert-butyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide

4-tert-butyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 2808927) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID2808927
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-tert-butyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1nccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H19N3O2S/c1-14(2,3)11-5-7-12(8-6-11)20(18,19)16-13-9-10-15-17(13)4/h5-10,16H,1-4H3
InChIKeyNOPZFLUAIHQOMC-UHFFFAOYSA-N
XLogP2.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide (CID 2808927) is 4-tert-butyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide is Cn1nccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is NOPZFLUAIHQOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-14(2,3)11-5-7-12(8-6-11)20(18,19)16-13-9-10-15-17(13)4/h5-10,16H,1-4H3.
What are the key properties of 4-tert-butyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
4-tert-butyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 2808927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).