(4-methoxycarbonylphenyl)methyl 2-(methanesulfonamido)benzoate

C17H17NO6S — CID 27910928

IUPAC(4-methoxycarbonylphenyl)methyl 2-(methanesulfonamido)benzoate
SMILESCOC(=O)c1ccc(COC(=O)c2ccccc2NS(C)(=O)=O)cc1
InChIInChI=1S/C17H17NO6S/c1-23-16(19)13-9-7-12(8-10-13)11-24-17(20)14-5-3-4-6-15(14)18-25(2,21)22/h3-10,18H,11H2,1-2H3
InChIKeyHSCJLWHZGUEGEE-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.20
Rot. Bonds6

About (4-methoxycarbonylphenyl)methyl 2-(methanesulfonamido)benzoate

(4-methoxycarbonylphenyl)methyl 2-(methanesulfonamido)benzoate (PubChem CID 27910928) has the molecular formula C17H17NO6S and a molecular weight of 363.39 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl)methyl 2-(methanesulfonamido)benzoate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl)methyl 2-(methanesulfonamido)benzoate
PubChem CID27910928
Molecular FormulaC17H17NO6S
Molecular Weight363.39 g/mol
Exact Mass363.08
IUPAC Name(4-methoxycarbonylphenyl)methyl 2-(methanesulfonamido)benzoate
SMILESCOC(=O)c1ccc(COC(=O)c2ccccc2NS(C)(=O)=O)cc1
InChIInChI=1S/C17H17NO6S/c1-23-16(19)13-9-7-12(8-10-13)11-24-17(20)14-5-3-4-6-15(14)18-25(2,21)22/h3-10,18H,11H2,1-2H3
InChIKeyHSCJLWHZGUEGEE-UHFFFAOYSA-N
XLogP2.20
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
(4-carbamoylphenyl)methyl 2-(methylamino)benzoate
CID 18136279
(4-methoxycarbonylphenyl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 42464208
(4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 894592
(4-methoxycarbonylphenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 895058
[2-(butylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 7740464
methyl 3-[(2-ethoxycarbonylphenyl)sulfamoyl]-4-methylbenzoate
CID 35507362
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
(7-ethyl-2-oxochromen-4-yl)methyl 2-(methanesulfonamido)benzoate
CID 7740586
methyl 2-[[4-(methanesulfonamido)-3-methylbenzoyl]amino]benzoate
CID 19062657
(4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate
CID 2379646
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(methanesulfonamido)benzoate
CID 46687610

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl)methyl 2-(methanesulfonamido)benzoate?
The IUPAC name of (4-methoxycarbonylphenyl)methyl 2-(methanesulfonamido)benzoate (CID 27910928) is (4-methoxycarbonylphenyl)methyl 2-(methanesulfonamido)benzoate.
What is the SMILES notation for (4-methoxycarbonylphenyl)methyl 2-(methanesulfonamido)benzoate?
The canonical SMILES for (4-methoxycarbonylphenyl)methyl 2-(methanesulfonamido)benzoate is COC(=O)c1ccc(COC(=O)c2ccccc2NS(C)(=O)=O)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl)methyl 2-(methanesulfonamido)benzoate?
The InChIKey is HSCJLWHZGUEGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO6S/c1-23-16(19)13-9-7-12(8-10-13)11-24-17(20)14-5-3-4-6-15(14)18-25(2,21)22/h3-10,18H,11H2,1-2H3.
What are the key properties of (4-methoxycarbonylphenyl)methyl 2-(methanesulfonamido)benzoate?
(4-methoxycarbonylphenyl)methyl 2-(methanesulfonamido)benzoate has a molecular weight of 363.39 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl)methyl 2-(methanesulfonamido)benzoate is sourced from PubChem (CID 27910928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).