(2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate

C15H13Cl2NO5S — CID 7890719

IUPAC(2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl2NO5S/c1-22-14-6-5-9(24(18,20)21)7-10(14)15(19)23-8-11-12(16)3-2-4-13(11)17/h2-7H,8H2,1H3,(H2,18,20,21)
InChIKeyVPNKROJKLSBHFY-UHFFFAOYSA-N
MW390.24 g/mol
LogP3.01
Rot. Bonds5

About (2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate

(2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate (PubChem CID 7890719) has the molecular formula C15H13Cl2NO5S and a molecular weight of 390.24 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate
PubChem CID7890719
Molecular FormulaC15H13Cl2NO5S
Molecular Weight390.24 g/mol
Exact Mass388.99
IUPAC Name(2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl2NO5S/c1-22-14-6-5-9(24(18,20)21)7-10(14)15(19)23-8-11-12(16)3-2-4-13(11)17/h2-7H,8H2,1H3,(H2,18,20,21)
InChIKeyVPNKROJKLSBHFY-UHFFFAOYSA-N
XLogP3.01
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 16570421
2-methoxyethyl 2-methoxy-5-sulfamoylbenzoate
CID 27910852
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7468025
(4-carbamoylphenyl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 26961268
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16518351
(2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate
CID 925956
3-[[[2-(2-chlorophenoxy)acetyl]amino]carbamoyl]-4-methoxybenzenesulfonamide
CID 7978237
(2-phenyl-1,3-thiazol-4-yl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 7467913
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7890743
(2,6-dichlorophenyl)methyl 2,3-dimethoxy-5-morpholin-4-ylsulfonylbenzoate
CID 2448565
2-methoxy-5-sulfamoylbenzamide;hydrochloride
CID 22748858
3-[[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]carbamoyl]-4-methoxybenzenesulfonamide
CID 27568145

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate?
The IUPAC name of (2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate (CID 7890719) is (2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate is COc1ccc(S(N)(=O)=O)cc1C(=O)OCc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate?
The InChIKey is VPNKROJKLSBHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO5S/c1-22-14-6-5-9(24(18,20)21)7-10(14)15(19)23-8-11-12(16)3-2-4-13(11)17/h2-7H,8H2,1H3,(H2,18,20,21).
What are the key properties of (2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate?
(2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate has a molecular weight of 390.24 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl 2-methoxy-5-sulfamoylbenzoate is sourced from PubChem (CID 7890719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).