methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-methoxyanilino)acetate

C16H15Cl2NO5S — CID 50891507

IUPACmethyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-methoxyanilino)acetate
SMILESCOC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO5S/c1-23-12-5-3-4-11(8-12)19(10-16(20)24-2)25(21,22)13-6-7-14(17)15(18)9-13/h3-9H,10H2,1-2H3
InChIKeyLXNPXNMNTODXGU-UHFFFAOYSA-N
MW404.27 g/mol
LogP3.37
Rot. Bonds6

About methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-methoxyanilino)acetate

methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-methoxyanilino)acetate (PubChem CID 50891507) has the molecular formula C16H15Cl2NO5S and a molecular weight of 404.27 g/mol. Its IUPAC name is methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-methoxyanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-methoxyanilino)acetate
PubChem CID50891507
Molecular FormulaC16H15Cl2NO5S
Molecular Weight404.27 g/mol
Exact Mass403.00
IUPAC Namemethyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-methoxyanilino)acetate
SMILESCOC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO5S/c1-23-12-5-3-4-11(8-12)19(10-16(20)24-2)25(21,22)13-6-7-14(17)15(18)9-13/h3-9H,10H2,1-2H3
InChIKeyLXNPXNMNTODXGU-UHFFFAOYSA-N
XLogP3.37
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate
CID 50889553
methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-iodoanilino)acetate
CID 50891171
methyl 2-(4-chloro-N-(3,4-dichlorophenyl)sulfonylanilino)acetate
CID 50890323
methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
CID 27014139
methyl 2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100510847
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
propan-2-yl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetate
CID 50894532
methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate
CID 50894816
ethyl 2-(N-(4-fluorophenyl)sulfonyl-3-methoxyanilino)acetate
CID 50891577
methyl 2-(3-chloro-4-methyl-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100533138
ethyl 2-[N-(3,4-dichlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetate
CID 50893211

Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-methoxyanilino)acetate?
The IUPAC name of methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-methoxyanilino)acetate (CID 50891507) is methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-methoxyanilino)acetate.
What is the SMILES notation for methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-methoxyanilino)acetate?
The canonical SMILES for methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-methoxyanilino)acetate is COC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-methoxyanilino)acetate?
The InChIKey is LXNPXNMNTODXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO5S/c1-23-12-5-3-4-11(8-12)19(10-16(20)24-2)25(21,22)13-6-7-14(17)15(18)9-13/h3-9H,10H2,1-2H3.
What are the key properties of methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-methoxyanilino)acetate?
methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-methoxyanilino)acetate has a molecular weight of 404.27 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-(3,4-dichlorophenyl)sulfonyl-3-methoxyanilino)acetate is sourced from PubChem (CID 50891507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).