N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide

C11H12BrN3O2S — CID 25044636

IUPACN-(4-bromo-5-methyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2n[nH]c(C)c2Br)cc1
InChIInChI=1S/C11H12BrN3O2S/c1-7-3-5-9(6-4-7)18(16,17)15-11-10(12)8(2)13-14-11/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyJZUFEHNDQPJKHO-UHFFFAOYSA-N
MW330.21 g/mol
LogP2.59
Rot. Bonds3

About N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide

N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide (PubChem CID 25044636) has the molecular formula C11H12BrN3O2S and a molecular weight of 330.21 g/mol. Its IUPAC name is N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-5-methyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide
PubChem CID25044636
Molecular FormulaC11H12BrN3O2S
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC NameN-(4-bromo-5-methyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2n[nH]c(C)c2Br)cc1
InChIInChI=1S/C11H12BrN3O2S/c1-7-3-5-9(6-4-7)18(16,17)15-11-10(12)8(2)13-14-11/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyJZUFEHNDQPJKHO-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-1H-pyrazol-5-yl)-4-methylbenzenesulfonamide
CID 3852469
N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 3707441
4-butan-2-yl-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115750953
4-methyl-N-(5-nitro-1H-indazol-3-yl)benzenesulfonamide
CID 142650220
N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 11001969
N-(4,5-dimethyl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 115750894
N-(4-bromo-3,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 169370356
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 71850721
4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 1359200
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide
CID 3830785
4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 25046851
N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
CID 673877

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide (CID 25044636) is N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2n[nH]c(C)c2Br)cc1.
What is the InChIKey of N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide?
The InChIKey is JZUFEHNDQPJKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S/c1-7-3-5-9(6-4-7)18(16,17)15-11-10(12)8(2)13-14-11/h3-6H,1-2H3,(H2,13,14,15).
What are the key properties of N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide?
N-(4-bromo-5-methyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide 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-(4-bromo-5-methyl-1H-pyrazol-3-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 25044636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).