methyl 4-[(2-bromophenyl)sulfonylamino]-2-methoxybenzoate

C15H14BrNO5S — CID 25043144

IUPACmethyl 4-[(2-bromophenyl)sulfonylamino]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2Br)cc1OC
InChIInChI=1S/C15H14BrNO5S/c1-21-13-9-10(7-8-11(13)15(18)22-2)17-23(19,20)14-6-4-3-5-12(14)16/h3-9,17H,1-2H3
InChIKeyLDOUXCAISAAYKB-UHFFFAOYSA-N
MW400.25 g/mol
LogP3.05
Rot. Bonds5

About methyl 4-[(2-bromophenyl)sulfonylamino]-2-methoxybenzoate

methyl 4-[(2-bromophenyl)sulfonylamino]-2-methoxybenzoate (PubChem CID 25043144) has the molecular formula C15H14BrNO5S and a molecular weight of 400.25 g/mol. Its IUPAC name is methyl 4-[(2-bromophenyl)sulfonylamino]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[(2-bromophenyl)sulfonylamino]-2-methoxybenzoate
PubChem CID25043144
Molecular FormulaC15H14BrNO5S
Molecular Weight400.25 g/mol
Exact Mass398.98
IUPAC Namemethyl 4-[(2-bromophenyl)sulfonylamino]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2Br)cc1OC
InChIInChI=1S/C15H14BrNO5S/c1-21-13-9-10(7-8-11(13)15(18)22-2)17-23(19,20)14-6-4-3-5-12(14)16/h3-9,17H,1-2H3
InChIKeyLDOUXCAISAAYKB-UHFFFAOYSA-N
XLogP3.05
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.25
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate
CID 25045124
methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 3811980
methyl 4-(chlorosulfonylamino)-2-methoxybenzoate
CID 175564431
methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 8523413
2-bromo-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 67700517
methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate
CID 8500923
2-bromo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;hydrochloride
CID 44533201
2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide
CID 82861269
methyl 4-(benzylamino)-2-methoxybenzoate
CID 23068026
2-bromo-N-(3-bromo-5-methoxyphenyl)benzenesulfonamide
CID 82860132
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
ethyl 3-[(2-bromophenyl)sulfonylamino]benzoate
CID 8823790

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-bromophenyl)sulfonylamino]-2-methoxybenzoate?
The IUPAC name of methyl 4-[(2-bromophenyl)sulfonylamino]-2-methoxybenzoate (CID 25043144) is methyl 4-[(2-bromophenyl)sulfonylamino]-2-methoxybenzoate.
What is the SMILES notation for methyl 4-[(2-bromophenyl)sulfonylamino]-2-methoxybenzoate?
The canonical SMILES for methyl 4-[(2-bromophenyl)sulfonylamino]-2-methoxybenzoate is COC(=O)c1ccc(NS(=O)(=O)c2ccccc2Br)cc1OC.
What is the InChIKey of methyl 4-[(2-bromophenyl)sulfonylamino]-2-methoxybenzoate?
The InChIKey is LDOUXCAISAAYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO5S/c1-21-13-9-10(7-8-11(13)15(18)22-2)17-23(19,20)14-6-4-3-5-12(14)16/h3-9,17H,1-2H3.
What are the key properties of methyl 4-[(2-bromophenyl)sulfonylamino]-2-methoxybenzoate?
methyl 4-[(2-bromophenyl)sulfonylamino]-2-methoxybenzoate has a molecular weight of 400.25 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-bromophenyl)sulfonylamino]-2-methoxybenzoate is sourced from PubChem (CID 25043144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).