4-bromo-2-ethyl-N-(2-ethylpyrazol-3-yl)benzenesulfonamide

C13H16BrN3O2S — CID 3564237

IUPAC4-bromo-2-ethyl-N-(2-ethylpyrazol-3-yl)benzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)Nc1ccnn1CC
InChIInChI=1S/C13H16BrN3O2S/c1-3-10-9-11(14)5-6-12(10)20(18,19)16-13-7-8-15-17(13)4-2/h5-9,16H,3-4H2,1-2H3
InChIKeyHMMLYEIZQOJRQR-UHFFFAOYSA-N
MW358.26 g/mol
LogP3.03
Rot. Bonds5

About 4-bromo-2-ethyl-N-(2-ethylpyrazol-3-yl)benzenesulfonamide

4-bromo-2-ethyl-N-(2-ethylpyrazol-3-yl)benzenesulfonamide (PubChem CID 3564237) has the molecular formula C13H16BrN3O2S and a molecular weight of 358.26 g/mol. Its IUPAC name is 4-bromo-2-ethyl-N-(2-ethylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-ethyl-N-(2-ethylpyrazol-3-yl)benzenesulfonamide
PubChem CID3564237
Molecular FormulaC13H16BrN3O2S
Molecular Weight358.26 g/mol
Exact Mass357.01
IUPAC Name4-bromo-2-ethyl-N-(2-ethylpyrazol-3-yl)benzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)Nc1ccnn1CC
InChIInChI=1S/C13H16BrN3O2S/c1-3-10-9-11(14)5-6-12(10)20(18,19)16-13-7-8-15-17(13)4-2/h5-9,16H,3-4H2,1-2H3
InChIKeyHMMLYEIZQOJRQR-UHFFFAOYSA-N
XLogP3.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(tert-butyl)-N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808927
4-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 2808888
4-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 172437010
4-bromo-N-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 172438100
N-(4-bromo-1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 2807661
4-ethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 16267616
N-(2-ethylpyrazol-3-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 3852424
4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22203534
4-bromo-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22204968
4-bromo-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22205577
4-bromo-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22205626
N-(2-propan-2-ylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 53610706

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-N-(2-ethylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-ethyl-N-(2-ethylpyrazol-3-yl)benzenesulfonamide (CID 3564237) is 4-bromo-2-ethyl-N-(2-ethylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-ethyl-N-(2-ethylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-ethyl-N-(2-ethylpyrazol-3-yl)benzenesulfonamide is CCc1cc(Br)ccc1S(=O)(=O)Nc1ccnn1CC.
What is the InChIKey of 4-bromo-2-ethyl-N-(2-ethylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is HMMLYEIZQOJRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2S/c1-3-10-9-11(14)5-6-12(10)20(18,19)16-13-7-8-15-17(13)4-2/h5-9,16H,3-4H2,1-2H3.
What are the key properties of 4-bromo-2-ethyl-N-(2-ethylpyrazol-3-yl)benzenesulfonamide?
4-bromo-2-ethyl-N-(2-ethylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 358.26 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-N-(2-ethylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 3564237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).