methyl 4-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoate

C21H19ClN2O6S2 — CID 24510134

IUPACmethyl 4-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c2)cc1
InChIInChI=1S/C21H19ClN2O6S2/c1-14-7-10-16(13-20(14)32(28,29)24-19-6-4-3-5-18(19)22)23-31(26,27)17-11-8-15(9-12-17)21(25)30-2/h3-13,23-24H,1-2H3
InChIKeyZSIRQWOMIIFZAN-UHFFFAOYSA-N
MW494.98 g/mol
LogP4.04
Rot. Bonds7

About methyl 4-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoate

methyl 4-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoate (PubChem CID 24510134) has the molecular formula C21H19ClN2O6S2 and a molecular weight of 494.98 g/mol. Its IUPAC name is methyl 4-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoate
PubChem CID24510134
Molecular FormulaC21H19ClN2O6S2
Molecular Weight494.98 g/mol
Exact Mass494.04
IUPAC Namemethyl 4-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c2)cc1
InChIInChI=1S/C21H19ClN2O6S2/c1-14-7-10-16(13-20(14)32(28,29)24-19-6-4-3-5-18(19)22)23-31(26,27)17-11-8-15(9-12-17)21(25)30-2/h3-13,23-24H,1-2H3
InChIKeyZSIRQWOMIIFZAN-UHFFFAOYSA-N
XLogP4.04
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.98
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoate with MolForge

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Related Compounds

N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3484763
methyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35506738
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3692029
methyl 3-[(3-chloro-2-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35507003
N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 1241946
methyl 4-chloro-3-[[3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 4207135
methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate
CID 24510050
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 126412405
2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]pyridine-3-sulfonamide
CID 24621317
methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 26487204
N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 9411375
N-[4-[[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]phenyl]acetamide
CID 26950174

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoate (CID 24510134) is methyl 4-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c2)cc1.
What is the InChIKey of methyl 4-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoate?
The InChIKey is ZSIRQWOMIIFZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O6S2/c1-14-7-10-16(13-20(14)32(28,29)24-19-6-4-3-5-18(19)22)23-31(26,27)17-11-8-15(9-12-17)21(25)30-2/h3-13,23-24H,1-2H3.
What are the key properties of methyl 4-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoate?
methyl 4-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoate has a molecular weight of 494.98 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoate is sourced from PubChem (CID 24510134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).