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

C17H19NO6S — CID 1319308

IUPACmethyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C17H19NO6S/c1-11-5-6-12(17(19)24-4)9-14(11)18-25(20,21)13-7-8-15(22-2)16(10-13)23-3/h5-10,18H,1-4H3
InChIKeyCSAKYWAGNGXDPB-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.60
Rot. Bonds6

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

methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoate (PubChem CID 1319308) has the molecular formula C17H19NO6S and a molecular weight of 365.41 g/mol. Its IUPAC name is methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoate
PubChem CID1319308
Molecular FormulaC17H19NO6S
Molecular Weight365.41 g/mol
Exact Mass365.09
IUPAC Namemethyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C17H19NO6S/c1-11-5-6-12(17(19)24-4)9-14(11)18-25(20,21)13-7-8-15(22-2)16(10-13)23-3/h5-10,18H,1-4H3
InChIKeyCSAKYWAGNGXDPB-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]-4-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]-4-methylbenzoate?
The IUPAC name of methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoate (CID 1319308) is methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoate?
The InChIKey is CSAKYWAGNGXDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6S/c1-11-5-6-12(17(19)24-4)9-14(11)18-25(20,21)13-7-8-15(22-2)16(10-13)23-3/h5-10,18H,1-4H3.
What are the key properties of methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoate?
methyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-4-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]-4-methylbenzoate is sourced from PubChem (CID 1319308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).