5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide

C10H11BrN4O2S — CID 54922704

IUPAC5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C10H11BrN4O2S/c1-6-4-7(11)2-3-8(6)15-18(16,17)9-5-13-14-10(9)12/h2-5,15H,1H3,(H3,12,13,14)
InChIKeyLQEAUKZFFFGWRX-UHFFFAOYSA-N
MW331.20 g/mol
LogP1.86
Rot. Bonds3

About 5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54922704) has the molecular formula C10H11BrN4O2S and a molecular weight of 331.20 g/mol. Its IUPAC name is 5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID54922704
Molecular FormulaC10H11BrN4O2S
Molecular Weight331.20 g/mol
Exact Mass329.98
IUPAC Name5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C10H11BrN4O2S/c1-6-4-7(11)2-3-8(6)15-18(16,17)9-5-13-14-10(9)12/h2-5,15H,1H3,(H3,12,13,14)
InChIKeyLQEAUKZFFFGWRX-UHFFFAOYSA-N
XLogP1.86
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54922801
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 83167706
5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide
CID 60815176
5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide
CID 107596356
2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 60986250
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
5-bromo-N-(4-bromo-2-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62163010
N-(5-bromo-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929733
N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929630
5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 54922893
N-(4-bromo-2-nitrophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275206
N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 7938529

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide (CID 54922704) is 5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide is Cc1cc(Br)ccc1NS(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is LQEAUKZFFFGWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2S/c1-6-4-7(11)2-3-8(6)15-18(16,17)9-5-13-14-10(9)12/h2-5,15H,1H3,(H3,12,13,14).
What are the key properties of 5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 331.20 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54922704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).