methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methylbenzoate

C17H19NO6S — CID 1006841

IUPACmethyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1C
InChIInChI=1S/C17H19NO6S/c1-11-13(17(19)24-4)6-5-7-14(11)18-25(20,21)12-8-9-15(22-2)16(10-12)23-3/h5-10,18H,1-4H3
InChIKeyWPMSXDXXOPNQNP-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.60
Rot. Bonds6

About methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methylbenzoate

methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methylbenzoate (PubChem CID 1006841) has the molecular formula C17H19NO6S and a molecular weight of 365.41 g/mol. Its IUPAC name is methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methylbenzoate
PubChem CID1006841
Molecular FormulaC17H19NO6S
Molecular Weight365.41 g/mol
Exact Mass365.09
IUPAC Namemethyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methylbenzoate
SMILESCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1C
InChIInChI=1S/C17H19NO6S/c1-11-13(17(19)24-4)6-5-7-14(11)18-25(20,21)12-8-9-15(22-2)16(10-12)23-3/h5-10,18H,1-4H3
InChIKeyWPMSXDXXOPNQNP-UHFFFAOYSA-N
XLogP2.60
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methylbenzoate?
The IUPAC name of methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methylbenzoate (CID 1006841) is methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methylbenzoate?
The canonical SMILES for methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methylbenzoate is COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1C.
What is the InChIKey of methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methylbenzoate?
The InChIKey is WPMSXDXXOPNQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6S/c1-11-13(17(19)24-4)6-5-7-14(11)18-25(20,21)12-8-9-15(22-2)16(10-12)23-3/h5-10,18H,1-4H3.
What are the key properties of methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methylbenzoate?
methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methylbenzoate has a molecular weight of 365.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-2-methylbenzoate is sourced from PubChem (CID 1006841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).