2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-methylbenzenesulfonamide

C12H14BrN3O2S — CID 54921964

IUPAC2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)nn2C)c(Br)c1
InChIInChI=1S/C12H14BrN3O2S/c1-8-4-5-11(10(13)6-8)19(17,18)15-12-7-9(2)14-16(12)3/h4-7,15H,1-3H3
InChIKeyXYNUKQSIUQLAOY-UHFFFAOYSA-N
MW344.23 g/mol
LogP2.60
Rot. Bonds3

About 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-methylbenzenesulfonamide

2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-methylbenzenesulfonamide (PubChem CID 54921964) has the molecular formula C12H14BrN3O2S and a molecular weight of 344.23 g/mol. Its IUPAC name is 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-methylbenzenesulfonamide
PubChem CID54921964
Molecular FormulaC12H14BrN3O2S
Molecular Weight344.23 g/mol
Exact Mass343.00
IUPAC Name2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)nn2C)c(Br)c1
InChIInChI=1S/C12H14BrN3O2S/c1-8-4-5-11(10(13)6-8)19(17,18)15-12-7-9(2)14-16(12)3/h4-7,15H,1-3H3
InChIKeyXYNUKQSIUQLAOY-UHFFFAOYSA-N
XLogP2.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-bromo-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 65202375
2-amino-5-bromo-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 54888796
N-(2,5-dimethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide
CID 3730633
3-amino-N-(2,5-dimethylpyrazol-3-yl)-2,4-difluorobenzenesulfonamide
CID 107343064
5-bromo-N-(2,5-dimethylpyrazol-3-yl)-2-nitrobenzenesulfonamide
CID 61016944
2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 60824838
2-amino-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 54888795
N-(4-aminophenyl)-2-bromo-4-methylbenzenesulfonamide
CID 43602585
N-(2,5-dimethylpyrazol-3-yl)-4-hydroxybenzenesulfonamide
CID 43318275
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide
CID 80974367
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 107593575
2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide
CID 65436218

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-methylbenzenesulfonamide (CID 54921964) is 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C)nn2C)c(Br)c1.
What is the InChIKey of 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-methylbenzenesulfonamide?
The InChIKey is XYNUKQSIUQLAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S/c1-8-4-5-11(10(13)6-8)19(17,18)15-12-7-9(2)14-16(12)3/h4-7,15H,1-3H3.
What are the key properties of 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-methylbenzenesulfonamide?
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-methylbenzenesulfonamide has a molecular weight of 344.23 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,5-dimethylpyrazol-3-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 54921964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).