methyl 4-[(3-bromophenyl)sulfamoyl]benzoate

C14H12BrNO4S — CID 40687836

IUPACmethyl 4-[(3-bromophenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C14H12BrNO4S/c1-20-14(17)10-5-7-13(8-6-10)21(18,19)16-12-4-2-3-11(15)9-12/h2-9,16H,1H3
InChIKeyLDGQSUQCNIPQDE-UHFFFAOYSA-N
MW370.22 g/mol
LogP3.04
Rot. Bonds4

About methyl 4-[(3-bromophenyl)sulfamoyl]benzoate

methyl 4-[(3-bromophenyl)sulfamoyl]benzoate (PubChem CID 40687836) has the molecular formula C14H12BrNO4S and a molecular weight of 370.22 g/mol. Its IUPAC name is methyl 4-[(3-bromophenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-bromophenyl)sulfamoyl]benzoate
PubChem CID40687836
Molecular FormulaC14H12BrNO4S
Molecular Weight370.22 g/mol
Exact Mass368.97
IUPAC Namemethyl 4-[(3-bromophenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C14H12BrNO4S/c1-20-14(17)10-5-7-13(8-6-10)21(18,19)16-12-4-2-3-11(15)9-12/h2-9,16H,1H3
InChIKeyLDGQSUQCNIPQDE-UHFFFAOYSA-N
XLogP3.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 24629326
methyl 3-[(4-iodophenyl)sulfonylamino]benzoate
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methyl 4-[(3-bromophenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
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3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
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methyl 4-[(3,5-dichlorophenyl)sulfamoyl]benzoate
CID 24509913
methyl 3-[(4-butan-2-ylphenyl)sulfonylamino]benzoate
CID 22774690
methyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26886837
methyl 4-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 669173
methyl 3-[(4-cyclopentyloxyphenyl)sulfonylamino]benzoate
CID 110424099
methyl 4-[[3-[(4-bromophenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26583412
methyl 3-bromo-5-[[3-(phenylsulfamoyl)benzoyl]amino]benzoate
CID 142738628
methyl 4-[[3-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate
CID 55920700

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-bromophenyl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-[(3-bromophenyl)sulfamoyl]benzoate (CID 40687836) is methyl 4-[(3-bromophenyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[(3-bromophenyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[(3-bromophenyl)sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of methyl 4-[(3-bromophenyl)sulfamoyl]benzoate?
The InChIKey is LDGQSUQCNIPQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4S/c1-20-14(17)10-5-7-13(8-6-10)21(18,19)16-12-4-2-3-11(15)9-12/h2-9,16H,1H3.
What are the key properties of methyl 4-[(3-bromophenyl)sulfamoyl]benzoate?
methyl 4-[(3-bromophenyl)sulfamoyl]benzoate has a molecular weight of 370.22 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-bromophenyl)sulfamoyl]benzoate is sourced from PubChem (CID 40687836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).