N-(3-bromo-4-sulfamoylphenyl)-1-methylpyrazole-4-carboxamide

C11H11BrN4O3S — CID 43246535

IUPACN-(3-bromo-4-sulfamoylphenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(S(N)(=O)=O)c(Br)c2)cn1
InChIInChI=1S/C11H11BrN4O3S/c1-16-6-7(5-14-16)11(17)15-8-2-3-10(9(12)4-8)20(13,18)19/h2-6H,1H3,(H,15,17)(H2,13,18,19)
InChIKeyBFJVEFHMRVXTSR-UHFFFAOYSA-N
MW359.21 g/mol
LogP1.08
Rot. Bonds3

About N-(3-bromo-4-sulfamoylphenyl)-1-methylpyrazole-4-carboxamide

N-(3-bromo-4-sulfamoylphenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 43246535) has the molecular formula C11H11BrN4O3S and a molecular weight of 359.21 g/mol. Its IUPAC name is N-(3-bromo-4-sulfamoylphenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-sulfamoylphenyl)-1-methylpyrazole-4-carboxamide
PubChem CID43246535
Molecular FormulaC11H11BrN4O3S
Molecular Weight359.21 g/mol
Exact Mass357.97
IUPAC NameN-(3-bromo-4-sulfamoylphenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(S(N)(=O)=O)c(Br)c2)cn1
InChIInChI=1S/C11H11BrN4O3S/c1-16-6-7(5-14-16)11(17)15-8-2-3-10(9(12)4-8)20(13,18)19/h2-6H,1H3,(H,15,17)(H2,13,18,19)
InChIKeyBFJVEFHMRVXTSR-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-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 103824882
1-methyl-N-(1-methyl-4-sulfamoylpyrazol-3-yl)pyrazole-4-carboxamide
CID 61132038
1-methyl-N-[4-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide
CID 47143175
N-[4-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 110695872
N-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 64794504
1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 18146246
N-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 82757494
N-(1H-indol-5-yl)-1-methylpyrazole-4-carboxamide
CID 110471413
N-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 110461785
N-(2-amino-4,6-dibromophenyl)-1-methylpyrazole-4-carboxamide
CID 43548466
ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 29204718
N-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide
CID 86991515

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-sulfamoylphenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3-bromo-4-sulfamoylphenyl)-1-methylpyrazole-4-carboxamide (CID 43246535) is N-(3-bromo-4-sulfamoylphenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-bromo-4-sulfamoylphenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-bromo-4-sulfamoylphenyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc(S(N)(=O)=O)c(Br)c2)cn1.
What is the InChIKey of N-(3-bromo-4-sulfamoylphenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is BFJVEFHMRVXTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O3S/c1-16-6-7(5-14-16)11(17)15-8-2-3-10(9(12)4-8)20(13,18)19/h2-6H,1H3,(H,15,17)(H2,13,18,19).
What are the key properties of N-(3-bromo-4-sulfamoylphenyl)-1-methylpyrazole-4-carboxamide?
N-(3-bromo-4-sulfamoylphenyl)-1-methylpyrazole-4-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-(3-bromo-4-sulfamoylphenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 43246535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).