5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

C10H6BrCl2N3O4S — CID 107787367

IUPAC5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C10H6BrCl2N3O4S/c11-5-1-2-6(8(13)7(5)12)16-21(19,20)9-4(10(17)18)3-14-15-9/h1-3,16H,(H,14,15)(H,17,18)
InChIKeyMVSSUIPRGGXPHA-UHFFFAOYSA-N
MW415.05 g/mol
LogP2.98
Rot. Bonds4

About 5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 107787367) has the molecular formula C10H6BrCl2N3O4S and a molecular weight of 415.05 g/mol. Its IUPAC name is 5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID107787367
Molecular FormulaC10H6BrCl2N3O4S
Molecular Weight415.05 g/mol
Exact Mass412.86
IUPAC Name5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C10H6BrCl2N3O4S/c11-5-1-2-6(8(13)7(5)12)16-21(19,20)9-4(10(17)18)3-14-15-9/h1-3,16H,(H,14,15)(H,17,18)
InChIKeyMVSSUIPRGGXPHA-UHFFFAOYSA-N
XLogP2.98
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.05
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-(4-bromo-2,3-dichlorophenyl)-1H-pyrazole-5-sulfonamide
CID 106088231
5-[(5-bromo-2,4-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 102852558
5-[(2,3,4-trifluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911015
5-[(2,3-difluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 61075738
5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934211
N-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107792769
5-[(3,5-dichloro-4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 107571644
5-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 79734110
N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide
CID 107788764
5-[[2-(methylaminomethyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 61403636
5-(thiophen-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 66351046
5-(1,2-oxazol-3-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62904001

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 107787367) is 5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1S(=O)(=O)Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is MVSSUIPRGGXPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2N3O4S/c11-5-1-2-6(8(13)7(5)12)16-21(19,20)9-4(10(17)18)3-14-15-9/h1-3,16H,(H,14,15)(H,17,18).
What are the key properties of 5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 415.05 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 107787367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).