methyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate

C18H19ClN2O6S — CID 55556618

IUPACmethyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)ccc1Cl
InChIInChI=1S/C18H19ClN2O6S/c1-21(2)28(24,25)16-9-11(5-8-15(16)26-3)17(22)20-12-6-7-14(19)13(10-12)18(23)27-4/h5-10H,1-4H3,(H,20,22)
InChIKeyZEVQDKOXOKJXHP-UHFFFAOYSA-N
MW426.88 g/mol
LogP2.64
Rot. Bonds6

About methyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate

methyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate (PubChem CID 55556618) has the molecular formula C18H19ClN2O6S and a molecular weight of 426.88 g/mol. Its IUPAC name is methyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
PubChem CID55556618
Molecular FormulaC18H19ClN2O6S
Molecular Weight426.88 g/mol
Exact Mass426.07
IUPAC Namemethyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)ccc1Cl
InChIInChI=1S/C18H19ClN2O6S/c1-21(2)28(24,25)16-9-11(5-8-15(16)26-3)17(22)20-12-6-7-14(19)13(10-12)18(23)27-4/h5-10H,1-4H3,(H,20,22)
InChIKeyZEVQDKOXOKJXHP-UHFFFAOYSA-N
XLogP2.64
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 45374065
N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55339628
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584
3-(dimethylsulfamoyl)-4-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 45374027
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-propan-2-ylbenzamide
CID 9106497
4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26102014
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55670093
N-(3-chloro-4-methoxyphenyl)-4-(dimethylsulfamoyl)benzamide
CID 2464580
N-(3,4-dichlorophenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36859467
2-chloro-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-5-nitrobenzamide
CID 9106447
4-chloro-N-(3,4-dimethoxyphenyl)-3-sulfamoylbenzamide
CID 26695102
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 25439136

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate (CID 55556618) is methyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate is COC(=O)c1cc(NC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate?
The InChIKey is ZEVQDKOXOKJXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O6S/c1-21(2)28(24,25)16-9-11(5-8-15(16)26-3)17(22)20-12-6-7-14(19)13(10-12)18(23)27-4/h5-10H,1-4H3,(H,20,22).
What are the key properties of methyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate?
methyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate has a molecular weight of 426.88 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate is sourced from PubChem (CID 55556618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).