methyl 3-[(3,5-dimethoxyphenyl)sulfamoyl]benzoate

C16H17NO6S — CID 31700234

IUPACmethyl 3-[(3,5-dimethoxyphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)Nc2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C16H17NO6S/c1-21-13-8-12(9-14(10-13)22-2)17-24(19,20)15-6-4-5-11(7-15)16(18)23-3/h4-10,17H,1-3H3
InChIKeyMHNGEOXGWKYHGY-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.29
Rot. Bonds6

About methyl 3-[(3,5-dimethoxyphenyl)sulfamoyl]benzoate

methyl 3-[(3,5-dimethoxyphenyl)sulfamoyl]benzoate (PubChem CID 31700234) has the molecular formula C16H17NO6S and a molecular weight of 351.38 g/mol. Its IUPAC name is methyl 3-[(3,5-dimethoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(3,5-dimethoxyphenyl)sulfamoyl]benzoate
PubChem CID31700234
Molecular FormulaC16H17NO6S
Molecular Weight351.38 g/mol
Exact Mass351.08
IUPAC Namemethyl 3-[(3,5-dimethoxyphenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)Nc2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C16H17NO6S/c1-21-13-8-12(9-14(10-13)22-2)17-24(19,20)15-6-4-5-11(7-15)16(18)23-3/h4-10,17H,1-3H3
InChIKeyMHNGEOXGWKYHGY-UHFFFAOYSA-N
XLogP2.29
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(4-aminophenyl)sulfamoyl]benzoate
CID 21060733
sodium methyl 3-[(3-methoxycarbonylphenyl)sulfonylsulfamoyl]benzoate
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methyl 3-(3-methoxyphenoxy)sulfonylbenzoate
CID 31701900
3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 2414183
methyl 3-[[3-(tert-butylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 99966232
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
methyl 3-[2-(3-methoxyphenoxy)ethylsulfamoyl]benzoate
CID 34111692
methyl 3-[[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylamino]benzoate
CID 47946892
methyl 3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamoyl]benzoate
CID 17175147
methyl 3-[(2-iodophenyl)sulfamoyl]benzoate
CID 31699712
methyl 3-methylsulfonylbenzoate
CID 6432252

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,5-dimethoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of methyl 3-[(3,5-dimethoxyphenyl)sulfamoyl]benzoate (CID 31700234) is methyl 3-[(3,5-dimethoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[(3,5-dimethoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 3-[(3,5-dimethoxyphenyl)sulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)Nc2cc(OC)cc(OC)c2)c1.
What is the InChIKey of methyl 3-[(3,5-dimethoxyphenyl)sulfamoyl]benzoate?
The InChIKey is MHNGEOXGWKYHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6S/c1-21-13-8-12(9-14(10-13)22-2)17-24(19,20)15-6-4-5-11(7-15)16(18)23-3/h4-10,17H,1-3H3.
What are the key properties of methyl 3-[(3,5-dimethoxyphenyl)sulfamoyl]benzoate?
methyl 3-[(3,5-dimethoxyphenyl)sulfamoyl]benzoate has a molecular weight of 351.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,5-dimethoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 31700234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).