methyl 2-[(4-bromo-1H-pyrazol-5-yl)sulfamoyl]benzoate

C11H10BrN3O4S — CID 3303174

IUPACmethyl 2-[(4-bromo-1H-pyrazol-5-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1[nH]ncc1Br
InChIInChI=1S/C11H10BrN3O4S/c1-19-11(16)7-4-2-3-5-9(7)20(17,18)15-10-8(12)6-13-14-10/h2-6H,1H3,(H2,13,14,15)
InChIKeyUYMUHLOVRMELRI-UHFFFAOYSA-N
MW360.19 g/mol
LogP1.76
Rot. Bonds4

About methyl 2-[(4-bromo-1H-pyrazol-5-yl)sulfamoyl]benzoate

methyl 2-[(4-bromo-1H-pyrazol-5-yl)sulfamoyl]benzoate (PubChem CID 3303174) has the molecular formula C11H10BrN3O4S and a molecular weight of 360.19 g/mol. Its IUPAC name is methyl 2-[(4-bromo-1H-pyrazol-5-yl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-bromo-1H-pyrazol-5-yl)sulfamoyl]benzoate
PubChem CID3303174
Molecular FormulaC11H10BrN3O4S
Molecular Weight360.19 g/mol
Exact Mass358.96
IUPAC Namemethyl 2-[(4-bromo-1H-pyrazol-5-yl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)Nc1[nH]ncc1Br
InChIInChI=1S/C11H10BrN3O4S/c1-19-11(16)7-4-2-3-5-9(7)20(17,18)15-10-8(12)6-13-14-10/h2-6H,1H3,(H2,13,14,15)
InChIKeyUYMUHLOVRMELRI-UHFFFAOYSA-N
XLogP1.76
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
methyl 2-[(2-bromo-4-fluorophenyl)sulfamoyl]benzoate
CID 3831628
methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]benzoate
CID 3870610
methyl 2-[(3,5-difluorophenyl)sulfamoyl]benzoate
CID 71900680
methyl 4-amino-2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate
CID 102931590
methyl 2-(2-aminoethylsulfamoyl)benzoate
CID 43603433
methyl 2-[(4-oxo-1H-quinolin-2-yl)sulfamoyl]benzoate
CID 44623908
3-[(2-methoxycarbonylphenyl)sulfonylamino]-1H-indole-2-carboxylate
CID 7006411
methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
CID 62662795
methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate
CID 8500923
methyl 2-(5-methoxypentylsulfamoyl)benzoate
CID 103833559
N-(4-bromo-1H-pyrazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 3698750

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-bromo-1H-pyrazol-5-yl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(4-bromo-1H-pyrazol-5-yl)sulfamoyl]benzoate (CID 3303174) is methyl 2-[(4-bromo-1H-pyrazol-5-yl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(4-bromo-1H-pyrazol-5-yl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(4-bromo-1H-pyrazol-5-yl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)Nc1[nH]ncc1Br.
What is the InChIKey of methyl 2-[(4-bromo-1H-pyrazol-5-yl)sulfamoyl]benzoate?
The InChIKey is UYMUHLOVRMELRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O4S/c1-19-11(16)7-4-2-3-5-9(7)20(17,18)15-10-8(12)6-13-14-10/h2-6H,1H3,(H2,13,14,15).
What are the key properties of methyl 2-[(4-bromo-1H-pyrazol-5-yl)sulfamoyl]benzoate?
methyl 2-[(4-bromo-1H-pyrazol-5-yl)sulfamoyl]benzoate has a molecular weight of 360.19 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-bromo-1H-pyrazol-5-yl)sulfamoyl]benzoate is sourced from PubChem (CID 3303174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).