4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C13H16BrN3O2S — CID 58561076

IUPAC4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1cc(Br)ccc1S(=O)(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C13H16BrN3O2S/c1-8-7-11(14)5-6-12(8)20(18,19)16-13-9(2)15-17(4)10(13)3/h5-7,16H,1-4H3
InChIKeyGKUIZRITPIWSDI-UHFFFAOYSA-N
MW358.26 g/mol
LogP2.91
Rot. Bonds3

About 4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 58561076) has the molecular formula C13H16BrN3O2S and a molecular weight of 358.26 g/mol. Its IUPAC name is 4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID58561076
Molecular FormulaC13H16BrN3O2S
Molecular Weight358.26 g/mol
Exact Mass357.01
IUPAC Name4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1cc(Br)ccc1S(=O)(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C13H16BrN3O2S/c1-8-7-11(14)5-6-12(8)20(18,19)16-13-9(2)15-17(4)10(13)3/h5-7,16H,1-4H3
InChIKeyGKUIZRITPIWSDI-UHFFFAOYSA-N
XLogP2.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-fluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 58561188
4-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methylbenzenesulfonamide
CID 91648724
4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3716725
2,4-difluoro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3775268
5-amino-2-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 65207200
5-bromo-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 61298899
2,4-dimethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 22203631
3,4-dimethyl-5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 4847731
N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773601
2-(4-bromo-2-methylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86908844
3-amino-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 61110211
4-bromo-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 91660871

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 58561076) is 4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1cc(Br)ccc1S(=O)(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of 4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is GKUIZRITPIWSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2S/c1-8-7-11(14)5-6-12(8)20(18,19)16-13-9(2)15-17(4)10(13)3/h5-7,16H,1-4H3.
What are the key properties of 4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 358.26 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 58561076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).