methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate

C22H22N2O7S2 — CID 24510176

IUPACmethyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2C)cc1
InChIInChI=1S/C22H22N2O7S2/c1-15-4-11-20(33(28,29)23-17-7-9-18(30-2)10-8-17)14-21(15)24-32(26,27)19-12-5-16(6-13-19)22(25)31-3/h4-14,23-24H,1-3H3
InChIKeyICRWLMGGTVQJJT-UHFFFAOYSA-N
MW490.56 g/mol
LogP3.39
Rot. Bonds8

About methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate

methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate (PubChem CID 24510176) has the molecular formula C22H22N2O7S2 and a molecular weight of 490.56 g/mol. Its IUPAC name is methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate
PubChem CID24510176
Molecular FormulaC22H22N2O7S2
Molecular Weight490.56 g/mol
Exact Mass490.09
IUPAC Namemethyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2C)cc1
InChIInChI=1S/C22H22N2O7S2/c1-15-4-11-20(33(28,29)23-17-7-9-18(30-2)10-8-17)14-21(15)24-32(26,27)19-12-5-16(6-13-19)22(25)31-3/h4-14,23-24H,1-3H3
InChIKeyICRWLMGGTVQJJT-UHFFFAOYSA-N
XLogP3.39
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate with MolForge

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Related Compounds

methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate
CID 24510050
methyl 4-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 36525556
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
methyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate
CID 24510131
N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26593901
methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate
CID 807062
methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700
methyl 4-fluoro-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 33492766
N-[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]-3-methylthiophene-2-carboxamide
CID 3523153
N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 6470178
methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-4-methylbenzoate
CID 99816310
methyl 3-[(4-bromo-3-methylphenyl)sulfonylamino]-4-methylbenzoate
CID 2696840

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate (CID 24510176) is methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2C)cc1.
What is the InChIKey of methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate?
The InChIKey is ICRWLMGGTVQJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O7S2/c1-15-4-11-20(33(28,29)23-17-7-9-18(30-2)10-8-17)14-21(15)24-32(26,27)19-12-5-16(6-13-19)22(25)31-3/h4-14,23-24H,1-3H3.
What are the key properties of methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate?
methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate has a molecular weight of 490.56 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate is sourced from PubChem (CID 24510176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).