N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide

C11H12BrN3O2S — CID 104937771

IUPACN-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1cc(Br)cc(NS(=O)(=O)c2cn[nH]c2C)c1
InChIInChI=1S/C11H12BrN3O2S/c1-7-3-9(12)5-10(4-7)15-18(16,17)11-6-13-14-8(11)2/h3-6,15H,1-2H3,(H,13,14)
InChIKeyRVYFGRJXKDRZDM-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.59
Rot. Bonds3

About N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 104937771) has the molecular formula C11H12BrN3O2S and a molecular weight of 330.21 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID104937771
Molecular FormulaC11H12BrN3O2S
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC NameN-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1cc(Br)cc(NS(=O)(=O)c2cn[nH]c2C)c1
InChIInChI=1S/C11H12BrN3O2S/c1-7-3-9(12)5-10(4-7)15-18(16,17)11-6-13-14-8(11)2/h3-6,15H,1-2H3,(H,13,14)
InChIKeyRVYFGRJXKDRZDM-UHFFFAOYSA-N
XLogP2.59
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929630
5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide
CID 60815176
4-(aminomethyl)-N-(3-bromo-5-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 106089279
N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54944574
N-(3-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107334243
N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929733
N-(1H-indazol-6-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61276176
N-(3-bromo-5-methylphenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106089323
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 103223919
5-bromo-N-(3-bromo-5-methylphenyl)-2-methylthiophene-3-sulfonamide
CID 107577586
N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275206
N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930110

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 104937771) is N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1cc(Br)cc(NS(=O)(=O)c2cn[nH]c2C)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is RVYFGRJXKDRZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S/c1-7-3-9(12)5-10(4-7)15-18(16,17)11-6-13-14-8(11)2/h3-6,15H,1-2H3,(H,13,14).
What are the key properties of N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 330.21 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 104937771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).