2-bromo-5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide

C12H13BrN4O3S — CID 81111625

IUPAC2-bromo-5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
SMILESCc1ccc(Br)c(C(=O)Nc2nn(C)cc2S(N)(=O)=O)c1
InChIInChI=1S/C12H13BrN4O3S/c1-7-3-4-9(13)8(5-7)12(18)15-11-10(21(14,19)20)6-17(2)16-11/h3-6H,1-2H3,(H2,14,19,20)(H,15,16,18)
InChIKeyDMIMNABOHZIARD-UHFFFAOYSA-N
MW373.23 g/mol
LogP1.39
Rot. Bonds3

About 2-bromo-5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide

2-bromo-5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide (PubChem CID 81111625) has the molecular formula C12H13BrN4O3S and a molecular weight of 373.23 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
PubChem CID81111625
Molecular FormulaC12H13BrN4O3S
Molecular Weight373.23 g/mol
Exact Mass371.99
IUPAC Name2-bromo-5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
SMILESCc1ccc(Br)c(C(=O)Nc2nn(C)cc2S(N)(=O)=O)c1
InChIInChI=1S/C12H13BrN4O3S/c1-7-3-4-9(13)8(5-7)12(18)15-11-10(21(14,19)20)6-17(2)16-11/h3-6H,1-2H3,(H2,14,19,20)(H,15,16,18)
InChIKeyDMIMNABOHZIARD-UHFFFAOYSA-N
XLogP1.39
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-bromo-5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide 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

2,4-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61129233
3-bromo-2-fluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 107953731
2-methoxy-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61129046
2,4-difluoro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide
CID 61129231
1,5-dimethyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrazole-3-carboxamide
CID 114219136
1-(4-methylphenyl)-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
CID 61132750
5-bromo-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-2-carboxamide
CID 61128864
5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)-1,2-oxazole-4-carboxamide
CID 61131374
2-chloro-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-3-carboxamide
CID 106689384
4-bromo-1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrrole-2-carboxamide
CID 61131380
2-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyridine-4-carboxamide
CID 106753989
N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-3-carboxamide
CID 61131275

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide?
The IUPAC name of 2-bromo-5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide (CID 81111625) is 2-bromo-5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-bromo-5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide is Cc1ccc(Br)c(C(=O)Nc2nn(C)cc2S(N)(=O)=O)c1.
What is the InChIKey of 2-bromo-5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide?
The InChIKey is DMIMNABOHZIARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O3S/c1-7-3-4-9(13)8(5-7)12(18)15-11-10(21(14,19)20)6-17(2)16-11/h3-6H,1-2H3,(H2,14,19,20)(H,15,16,18).
What are the key properties of 2-bromo-5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide?
2-bromo-5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide has a molecular weight of 373.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)benzamide is sourced from PubChem (CID 81111625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).