methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate

C16H16BrNO6S — CID 25045124

IUPACmethyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2cc(Br)ccc2OC)cc1OC
InChIInChI=1S/C16H16BrNO6S/c1-22-13-7-4-10(17)8-15(13)25(20,21)18-11-5-6-12(16(19)24-3)14(9-11)23-2/h4-9,18H,1-3H3
InChIKeyUEMVPYYTIMVZQM-UHFFFAOYSA-N
MW430.28 g/mol
LogP3.05
Rot. Bonds6

About methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate

methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate (PubChem CID 25045124) has the molecular formula C16H16BrNO6S and a molecular weight of 430.28 g/mol. Its IUPAC name is methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate
PubChem CID25045124
Molecular FormulaC16H16BrNO6S
Molecular Weight430.28 g/mol
Exact Mass428.99
IUPAC Namemethyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(NS(=O)(=O)c2cc(Br)ccc2OC)cc1OC
InChIInChI=1S/C16H16BrNO6S/c1-22-13-7-4-10(17)8-15(13)25(20,21)18-11-5-6-12(16(19)24-3)14(9-11)23-2/h4-9,18H,1-3H3
InChIKeyUEMVPYYTIMVZQM-UHFFFAOYSA-N
XLogP3.05
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(2-bromophenyl)sulfonylamino]-2-methoxybenzoate
CID 25043144
methyl 5-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2,4-difluorobenzoate
CID 31808235
N-[4-[(5-bromo-2-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965710
methyl 4-(chlorosulfonylamino)-2-methoxybenzoate
CID 175564431
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26951683
5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
CID 26979755
5-bromo-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide
CID 35940097
methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 3811980
5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970310
5-bromo-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3866014
5-bromo-2-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955910
3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide
CID 166186504

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate?
The IUPAC name of methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate (CID 25045124) is methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate.
What is the SMILES notation for methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate?
The canonical SMILES for methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate is COC(=O)c1ccc(NS(=O)(=O)c2cc(Br)ccc2OC)cc1OC.
What is the InChIKey of methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate?
The InChIKey is UEMVPYYTIMVZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO6S/c1-22-13-7-4-10(17)8-15(13)25(20,21)18-11-5-6-12(16(19)24-3)14(9-11)23-2/h4-9,18H,1-3H3.
What are the key properties of methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate?
methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate has a molecular weight of 430.28 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2-methoxybenzoate is sourced from PubChem (CID 25045124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).