methyl 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-6-methylbenzoate

C20H23ClN2O5S — CID 17475289

IUPACmethyl 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-6-methylbenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2C(=O)OC)ccc1Cl
InChIInChI=1S/C20H23ClN2O5S/c1-5-23(6-2)29(26,27)17-12-14(10-11-15(17)21)19(24)22-16-9-7-8-13(3)18(16)20(25)28-4/h7-12H,5-6H2,1-4H3,(H,22,24)
InChIKeyIXEDYXKRIGFDHY-UHFFFAOYSA-N
MW438.93 g/mol
LogP3.72
Rot. Bonds7

About methyl 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-6-methylbenzoate

methyl 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-6-methylbenzoate (PubChem CID 17475289) has the molecular formula C20H23ClN2O5S and a molecular weight of 438.93 g/mol. Its IUPAC name is methyl 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-6-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-6-methylbenzoate
PubChem CID17475289
Molecular FormulaC20H23ClN2O5S
Molecular Weight438.93 g/mol
Exact Mass438.10
IUPAC Namemethyl 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-6-methylbenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2C(=O)OC)ccc1Cl
InChIInChI=1S/C20H23ClN2O5S/c1-5-23(6-2)29(26,27)17-12-14(10-11-15(17)21)19(24)22-16-9-7-8-13(3)18(16)20(25)28-4/h7-12H,5-6H2,1-4H3,(H,22,24)
InChIKeyIXEDYXKRIGFDHY-UHFFFAOYSA-N
XLogP3.72
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 2678518
4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide
CID 8503404
4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 56581135
4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide
CID 2665643
N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 7914188
4-chloro-3-(diethylsulfamoyl)-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 60538447
4-chloro-3-(diethylsulfamoyl)-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 75469584
4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide
CID 52680605
N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 38202373
4-chloro-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(diethylsulfamoyl)benzamide
CID 17452883
2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
CID 1379292
methyl 3-[[4-chloro-3-[(2-methylphenyl)sulfamoyl]benzoyl]amino]-4-methylbenzoate
CID 126412706

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-6-methylbenzoate?
The IUPAC name of methyl 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-6-methylbenzoate (CID 17475289) is methyl 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-6-methylbenzoate.
What is the SMILES notation for methyl 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-6-methylbenzoate?
The canonical SMILES for methyl 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-6-methylbenzoate is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2C(=O)OC)ccc1Cl.
What is the InChIKey of methyl 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-6-methylbenzoate?
The InChIKey is IXEDYXKRIGFDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5S/c1-5-23(6-2)29(26,27)17-12-14(10-11-15(17)21)19(24)22-16-9-7-8-13(3)18(16)20(25)28-4/h7-12H,5-6H2,1-4H3,(H,22,24).
What are the key properties of methyl 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-6-methylbenzoate?
methyl 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-6-methylbenzoate has a molecular weight of 438.93 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-6-methylbenzoate is sourced from PubChem (CID 17475289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).