methyl 2,4-dichloro-3-[(4-methylphenyl)sulfonylamino]benzoate

C15H13Cl2NO4S — CID 169371636

IUPACmethyl 2,4-dichloro-3-[(4-methylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(C)cc2)c1Cl
InChIInChI=1S/C15H13Cl2NO4S/c1-9-3-5-10(6-4-9)23(20,21)18-14-12(16)8-7-11(13(14)17)15(19)22-2/h3-8,18H,1-2H3
InChIKeyHZYKXMUEMGEVSK-UHFFFAOYSA-N
MW374.25 g/mol
LogP3.89
Rot. Bonds4

About methyl 2,4-dichloro-3-[(4-methylphenyl)sulfonylamino]benzoate

methyl 2,4-dichloro-3-[(4-methylphenyl)sulfonylamino]benzoate (PubChem CID 169371636) has the molecular formula C15H13Cl2NO4S and a molecular weight of 374.25 g/mol. Its IUPAC name is methyl 2,4-dichloro-3-[(4-methylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2,4-dichloro-3-[(4-methylphenyl)sulfonylamino]benzoate
PubChem CID169371636
Molecular FormulaC15H13Cl2NO4S
Molecular Weight374.25 g/mol
Exact Mass372.99
IUPAC Namemethyl 2,4-dichloro-3-[(4-methylphenyl)sulfonylamino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(C)cc2)c1Cl
InChIInChI=1S/C15H13Cl2NO4S/c1-9-3-5-10(6-4-9)23(20,21)18-14-12(16)8-7-11(13(14)17)15(19)22-2/h3-8,18H,1-2H3
InChIKeyHZYKXMUEMGEVSK-UHFFFAOYSA-N
XLogP3.89
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 169373285
methyl 2,4-dimethoxy-3-[(4-methylphenyl)sulfonylamino]benzoate
CID 139249633
methyl 1-[(4-methylphenyl)sulfonylamino]naphthalene-2-carboxylate
CID 169372846
methyl 2,3-difluoro-4-[(4-methylphenyl)sulfonylamino]benzoate
CID 169372369
methyl 3,4-diamino-2,5-bis[(4-methylphenyl)sulfonylamino]benzoate
CID 118497707
methyl 4-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 92681606
methyl 2-chloro-5-[[3-chloro-4-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 46770674
methyl 2-[4-[(4-methylphenyl)sulfonylamino]anilino]benzoate
CID 112988470
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
methyl 2-chloro-5-(phenylsulfamoyl)benzoate
CID 99702882
methyl 4-fluoro-5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 169372761
methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 2980517

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dichloro-3-[(4-methylphenyl)sulfonylamino]benzoate?
The IUPAC name of methyl 2,4-dichloro-3-[(4-methylphenyl)sulfonylamino]benzoate (CID 169371636) is methyl 2,4-dichloro-3-[(4-methylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2,4-dichloro-3-[(4-methylphenyl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2,4-dichloro-3-[(4-methylphenyl)sulfonylamino]benzoate is COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(C)cc2)c1Cl.
What is the InChIKey of methyl 2,4-dichloro-3-[(4-methylphenyl)sulfonylamino]benzoate?
The InChIKey is HZYKXMUEMGEVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4S/c1-9-3-5-10(6-4-9)23(20,21)18-14-12(16)8-7-11(13(14)17)15(19)22-2/h3-8,18H,1-2H3.
What are the key properties of methyl 2,4-dichloro-3-[(4-methylphenyl)sulfonylamino]benzoate?
methyl 2,4-dichloro-3-[(4-methylphenyl)sulfonylamino]benzoate has a molecular weight of 374.25 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dichloro-3-[(4-methylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 169371636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).