methyl 3-[(4-methoxyphenyl)sulfonylamino]-4-methylbenzoate

C16H17NO5S — CID 1122589

IUPACmethyl 3-[(4-methoxyphenyl)sulfonylamino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C16H17NO5S/c1-11-4-5-12(16(18)22-3)10-15(11)17-23(19,20)14-8-6-13(21-2)7-9-14/h4-10,17H,1-3H3
InChIKeyNXPCCMVUKBCPFJ-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.59
Rot. Bonds5

About methyl 3-[(4-methoxyphenyl)sulfonylamino]-4-methylbenzoate

methyl 3-[(4-methoxyphenyl)sulfonylamino]-4-methylbenzoate (PubChem CID 1122589) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is methyl 3-[(4-methoxyphenyl)sulfonylamino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(4-methoxyphenyl)sulfonylamino]-4-methylbenzoate
PubChem CID1122589
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Namemethyl 3-[(4-methoxyphenyl)sulfonylamino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C16H17NO5S/c1-11-4-5-12(16(18)22-3)10-15(11)17-23(19,20)14-8-6-13(21-2)7-9-14/h4-10,17H,1-3H3
InChIKeyNXPCCMVUKBCPFJ-UHFFFAOYSA-N
XLogP2.59
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(4-methoxyphenyl)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-[(4-methoxyphenyl)sulfonylamino]-4-methylbenzoate?
The IUPAC name of methyl 3-[(4-methoxyphenyl)sulfonylamino]-4-methylbenzoate (CID 1122589) is methyl 3-[(4-methoxyphenyl)sulfonylamino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[(4-methoxyphenyl)sulfonylamino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[(4-methoxyphenyl)sulfonylamino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)cc2)c1.
What is the InChIKey of methyl 3-[(4-methoxyphenyl)sulfonylamino]-4-methylbenzoate?
The InChIKey is NXPCCMVUKBCPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-11-4-5-12(16(18)22-3)10-15(11)17-23(19,20)14-8-6-13(21-2)7-9-14/h4-10,17H,1-3H3.
What are the key properties of methyl 3-[(4-methoxyphenyl)sulfonylamino]-4-methylbenzoate?
methyl 3-[(4-methoxyphenyl)sulfonylamino]-4-methylbenzoate has a molecular weight of 335.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methoxyphenyl)sulfonylamino]-4-methylbenzoate is sourced from PubChem (CID 1122589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).