methyl 2-(4-chloro-N-(3,4-dichlorophenyl)sulfonylanilino)acetate

C15H12Cl3NO4S — CID 50890323

IUPACmethyl 2-(4-chloro-N-(3,4-dichlorophenyl)sulfonylanilino)acetate
SMILESCOC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl3NO4S/c1-23-15(20)9-19(11-4-2-10(16)3-5-11)24(21,22)12-6-7-13(17)14(18)8-12/h2-8H,9H2,1H3
InChIKeyDPVUZLRONYUMQN-UHFFFAOYSA-N
MW408.69 g/mol
LogP4.02
Rot. Bonds5

About methyl 2-(4-chloro-N-(3,4-dichlorophenyl)sulfonylanilino)acetate

methyl 2-(4-chloro-N-(3,4-dichlorophenyl)sulfonylanilino)acetate (PubChem CID 50890323) has the molecular formula C15H12Cl3NO4S and a molecular weight of 408.69 g/mol. Its IUPAC name is methyl 2-(4-chloro-N-(3,4-dichlorophenyl)sulfonylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(4-chloro-N-(3,4-dichlorophenyl)sulfonylanilino)acetate
PubChem CID50890323
Molecular FormulaC15H12Cl3NO4S
Molecular Weight408.69 g/mol
Exact Mass406.96
IUPAC Namemethyl 2-(4-chloro-N-(3,4-dichlorophenyl)sulfonylanilino)acetate
SMILESCOC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl3NO4S/c1-23-15(20)9-19(11-4-2-10(16)3-5-11)24(21,22)12-6-7-13(17)14(18)8-12/h2-8H,9H2,1H3
InChIKeyDPVUZLRONYUMQN-UHFFFAOYSA-N
XLogP4.02
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.69
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate
CID 50889553
methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-methoxyanilino)acetate
CID 50891507
methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-iodoanilino)acetate
CID 50891171
methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate
CID 50894816
methyl 2-(3,4-dichloro-N-(3-nitrophenyl)sulfonylanilino)acetate
CID 100523624
methyl 2-(3-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)acetate
CID 50895551
methyl 2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100510847
methyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate
CID 1050006
methyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-4-prop-2-enoxyanilino)acetate
CID 100514854
methyl 2-(3,5-dichloro-N-(4-fluorophenyl)sulfonylanilino)acetate
CID 50892994
methyl 2-[4-chloro-N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetate
CID 100503773
methyl 2-(3-chloro-4-methyl-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100533138

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chloro-N-(3,4-dichlorophenyl)sulfonylanilino)acetate?
The IUPAC name of methyl 2-(4-chloro-N-(3,4-dichlorophenyl)sulfonylanilino)acetate (CID 50890323) is methyl 2-(4-chloro-N-(3,4-dichlorophenyl)sulfonylanilino)acetate.
What is the SMILES notation for methyl 2-(4-chloro-N-(3,4-dichlorophenyl)sulfonylanilino)acetate?
The canonical SMILES for methyl 2-(4-chloro-N-(3,4-dichlorophenyl)sulfonylanilino)acetate is COC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl 2-(4-chloro-N-(3,4-dichlorophenyl)sulfonylanilino)acetate?
The InChIKey is DPVUZLRONYUMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO4S/c1-23-15(20)9-19(11-4-2-10(16)3-5-11)24(21,22)12-6-7-13(17)14(18)8-12/h2-8H,9H2,1H3.
What are the key properties of methyl 2-(4-chloro-N-(3,4-dichlorophenyl)sulfonylanilino)acetate?
methyl 2-(4-chloro-N-(3,4-dichlorophenyl)sulfonylanilino)acetate has a molecular weight of 408.69 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chloro-N-(3,4-dichlorophenyl)sulfonylanilino)acetate is sourced from PubChem (CID 50890323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).