(3-methoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate

C16H17NO6S — CID 16570421

IUPAC(3-methoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate
SMILESCOc1cccc(COC(=O)c2cc(S(N)(=O)=O)ccc2OC)c1
InChIInChI=1S/C16H17NO6S/c1-21-12-5-3-4-11(8-12)10-23-16(18)14-9-13(24(17,19)20)6-7-15(14)22-2/h3-9H,10H2,1-2H3,(H2,17,19,20)
InChIKeyUPTDEKOJEXIDFP-UHFFFAOYSA-N
MW351.38 g/mol
LogP1.71
Rot. Bonds6

About (3-methoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate

(3-methoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate (PubChem CID 16570421) has the molecular formula C16H17NO6S and a molecular weight of 351.38 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate
PubChem CID16570421
Molecular FormulaC16H17NO6S
Molecular Weight351.38 g/mol
Exact Mass351.08
IUPAC Name(3-methoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate
SMILESCOc1cccc(COC(=O)c2cc(S(N)(=O)=O)ccc2OC)c1
InChIInChI=1S/C16H17NO6S/c1-21-12-5-3-4-11(8-12)10-23-16(18)14-9-13(24(17,19)20)6-7-15(14)22-2/h3-9H,10H2,1-2H3,(H2,17,19,20)
InChIKeyUPTDEKOJEXIDFP-UHFFFAOYSA-N
XLogP1.71
TPSA104.92 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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[(3-methoxyphenyl)methyl]-5-sulfamoylbenzamide
CID 9495729
(4-carbamoylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 26961268
(2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 7890719
2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate
CID 27910852
2-methoxy-N-(3-methoxyphenyl)-5-sulfamoylbenzamide
CID 27167646
(3-methoxyphenyl)methyl 2-amino-3-bromobenzoate
CID 61235590
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518490
(3-methoxyphenyl)methyl 2-fluorobenzoate
CID 57332820
(2-phenyl-1,3-thiazol-4-yl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 7467913
(3-methoxyphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 55331142
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7890743
N-benzyl-2-methoxy-5-sulfamoylbenzamide
CID 827282

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate?
The IUPAC name of (3-methoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate (CID 16570421) is (3-methoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate.
What is the SMILES notation for (3-methoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate?
The canonical SMILES for (3-methoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate is COc1cccc(COC(=O)c2cc(S(N)(=O)=O)ccc2OC)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate?
The InChIKey is UPTDEKOJEXIDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6S/c1-21-12-5-3-4-11(8-12)10-23-16(18)14-9-13(24(17,19)20)6-7-15(14)22-2/h3-9H,10H2,1-2H3,(H2,17,19,20).
What are the key properties of (3-methoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate?
(3-methoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate has a molecular weight of 351.38 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate is sourced from PubChem (CID 16570421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).