N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide

C11H11BrN4O3S — CID 61129736

IUPACN-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C11H11BrN4O3S/c1-16-10(4-5-14-16)11(17)15-9-3-2-7(6-8(9)12)20(13,18)19/h2-6H,1H3,(H,15,17)(H2,13,18,19)
InChIKeyMXEXZGCGYBMFNV-UHFFFAOYSA-N
MW359.21 g/mol
LogP1.08
Rot. Bonds3

About N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide

N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 61129736) has the molecular formula C11H11BrN4O3S and a molecular weight of 359.21 g/mol. Its IUPAC name is N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
PubChem CID61129736
Molecular FormulaC11H11BrN4O3S
Molecular Weight359.21 g/mol
Exact Mass357.97
IUPAC NameN-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C11H11BrN4O3S/c1-16-10(4-5-14-16)11(17)15-9-3-2-7(6-8(9)12)20(13,18)19/h2-6H,1H3,(H,15,17)(H2,13,18,19)
InChIKeyMXEXZGCGYBMFNV-UHFFFAOYSA-N
XLogP1.08
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129598
N-(2-chloro-5-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61131082
N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide
CID 47083946
N-(2-bromo-4-sulfamoylphenyl)-3-methylimidazole-4-carboxamide
CID 103511171
ethyl 3-bromo-4-[(2-methylpyrazole-3-carbonyl)amino]benzoate
CID 43664920
3-chloro-4-[(2-methylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 62920806
4-bromo-N-(2-bromo-4-sulfamoylphenyl)benzamide
CID 43246759
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methylpyrazole-3-carboxamide
CID 19475773
4-amino-N-(2-bromo-4-sulfamoylphenyl)benzamide
CID 43711286
N-(4-bromo-2-carbamothioylphenyl)-2-methylpyrazole-3-carboxamide
CID 82703437
5-bromo-N-(2-bromo-4-sulfamoylphenyl)furan-2-carboxamide
CID 61128224
N-(5-bromo-2,4-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide
CID 86801789

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide (CID 61129736) is N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ccc(S(N)(=O)=O)cc1Br.
What is the InChIKey of N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is MXEXZGCGYBMFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O3S/c1-16-10(4-5-14-16)11(17)15-9-3-2-7(6-8(9)12)20(13,18)19/h2-6H,1H3,(H,15,17)(H2,13,18,19).
What are the key properties of N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide?
N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 359.21 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 61129736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).