methyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate

C20H25NO5S — CID 3408360

IUPACmethyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(OC)c(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1
InChIInChI=1S/C20H25NO5S/c1-11-12(2)14(4)19(15(5)13(11)3)27(23,24)21-17-10-16(20(22)26-7)8-9-18(17)25-6/h8-10,21H,1-7H3
InChIKeyMVQHRTDJEHJFSF-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.82
Rot. Bonds5

About methyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate

methyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate (PubChem CID 3408360) has the molecular formula C20H25NO5S and a molecular weight of 391.49 g/mol. Its IUPAC name is methyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate
PubChem CID3408360
Molecular FormulaC20H25NO5S
Molecular Weight391.49 g/mol
Exact Mass391.15
IUPAC Namemethyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(OC)c(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1
InChIInChI=1S/C20H25NO5S/c1-11-12(2)14(4)19(15(5)13(11)3)27(23,24)21-17-10-16(20(22)26-7)8-9-18(17)25-6/h8-10,21H,1-7H3
InChIKeyMVQHRTDJEHJFSF-UHFFFAOYSA-N
XLogP3.82
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(methanesulfonamido)-4-methoxybenzoate
CID 5303011
methyl 3-(benzenesulfonamido)-4-methoxybenzoate
CID 3804370
methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700
methyl 3-[(4-tert-butylphenyl)sulfonylamino]-4-methoxybenzoate
CID 3798192
methyl 4-methoxy-3-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 3481209
4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 4126284
dimethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzene-1,4-dicarboxylate
CID 92510603
3,4-dimethoxy-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 8523716
methyl 3-[(2,6-difluorophenyl)sulfonylamino]-4-methylbenzoate
CID 2648322
methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate
CID 24510050
3-[[4-[4-[(5-carboxy-2-methoxyphenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]-4-methoxybenzoic acid
CID 11308016
methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate
CID 7939248

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate (CID 3408360) is methyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate is COC(=O)c1ccc(OC)c(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c1.
What is the InChIKey of methyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate?
The InChIKey is MVQHRTDJEHJFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S/c1-11-12(2)14(4)19(15(5)13(11)3)27(23,24)21-17-10-16(20(22)26-7)8-9-18(17)25-6/h8-10,21H,1-7H3.
What are the key properties of methyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate?
methyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate has a molecular weight of 391.49 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 3408360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).