N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide

C12H14BrN3O2S — CID 54929630

IUPACN-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1cc(Br)cc(C)c1NS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C12H14BrN3O2S/c1-7-4-10(13)5-8(2)12(7)16-19(17,18)11-6-14-15-9(11)3/h4-6,16H,1-3H3,(H,14,15)
InChIKeyAJNAVXYVAQOFLQ-UHFFFAOYSA-N
MW344.23 g/mol
LogP2.90
Rot. Bonds3

About N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 54929630) has the molecular formula C12H14BrN3O2S and a molecular weight of 344.23 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID54929630
Molecular FormulaC12H14BrN3O2S
Molecular Weight344.23 g/mol
Exact Mass343.00
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1cc(Br)cc(C)c1NS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C12H14BrN3O2S/c1-7-4-10(13)5-8(2)12(7)16-19(17,18)11-6-14-15-9(11)3/h4-6,16H,1-3H3,(H,14,15)
InChIKeyAJNAVXYVAQOFLQ-UHFFFAOYSA-N
XLogP2.90
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 104937771
N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54944574
N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929733
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 103223919
2-amino-5-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-sulfonamide
CID 62163149
5-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 54930114
N-(6-amino-2,3-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929809
N-(2-chloro-6-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 66257339
N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275206
5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54922704
N-(4,5-dimethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912107
N-(2-amino-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 81314435

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 54929630) is N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1cc(Br)cc(C)c1NS(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is AJNAVXYVAQOFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S/c1-7-4-10(13)5-8(2)12(7)16-19(17,18)11-6-14-15-9(11)3/h4-6,16H,1-3H3,(H,14,15).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 344.23 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54929630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).