4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbenzenesulfonamide

C12H14BrN3O2S — CID 112699826

IUPAC4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbenzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccc(Br)c(C)c2)n[nH]1
InChIInChI=1S/C12H14BrN3O2S/c1-3-9-7-12(15-14-9)16-19(17,18)10-4-5-11(13)8(2)6-10/h4-7H,3H2,1-2H3,(H2,14,15,16)
InChIKeyQVOXEWOAEKGNNJ-UHFFFAOYSA-N
MW344.23 g/mol
LogP2.84
Rot. Bonds4

About 4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbenzenesulfonamide

4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbenzenesulfonamide (PubChem CID 112699826) has the molecular formula C12H14BrN3O2S and a molecular weight of 344.23 g/mol. Its IUPAC name is 4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbenzenesulfonamide
PubChem CID112699826
Molecular FormulaC12H14BrN3O2S
Molecular Weight344.23 g/mol
Exact Mass343.00
IUPAC Name4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbenzenesulfonamide
SMILESCCc1cc(NS(=O)(=O)c2ccc(Br)c(C)c2)n[nH]1
InChIInChI=1S/C12H14BrN3O2S/c1-3-9-7-12(15-14-9)16-19(17,18)10-4-5-11(13)8(2)6-10/h4-7H,3H2,1-2H3,(H2,14,15,16)
InChIKeyQVOXEWOAEKGNNJ-UHFFFAOYSA-N
XLogP2.84
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbenzenesulfonamide (CID 112699826) is 4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbenzenesulfonamide is CCc1cc(NS(=O)(=O)c2ccc(Br)c(C)c2)n[nH]1.
What is the InChIKey of 4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbenzenesulfonamide?
The InChIKey is QVOXEWOAEKGNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S/c1-3-9-7-12(15-14-9)16-19(17,18)10-4-5-11(13)8(2)6-10/h4-7H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbenzenesulfonamide?
4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbenzenesulfonamide has a molecular weight of 344.23 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 112699826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).