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

C15H13Cl2NO4S — CID 50889553

IUPACmethyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate
SMILESCOC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO4S/c1-22-15(19)10-18(11-5-3-2-4-6-11)23(20,21)12-7-8-13(16)14(17)9-12/h2-9H,10H2,1H3
InChIKeyWHVDIGVOPXZPMY-UHFFFAOYSA-N
MW374.25 g/mol
LogP3.36
Rot. Bonds5

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

methyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate (PubChem CID 50889553) has the molecular formula C15H13Cl2NO4S and a molecular weight of 374.25 g/mol. Its IUPAC name is methyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate
PubChem CID50889553
Molecular FormulaC15H13Cl2NO4S
Molecular Weight374.25 g/mol
Exact Mass372.99
IUPAC Namemethyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate
SMILESCOC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO4S/c1-22-15(19)10-18(11-5-3-2-4-6-11)23(20,21)12-7-8-13(16)14(17)9-12/h2-9H,10H2,1H3
InChIKeyWHVDIGVOPXZPMY-UHFFFAOYSA-N
XLogP3.36
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-chloro-N-(3,4-dichlorophenyl)sulfonylanilino)acetate
CID 50890323
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-(3-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)acetate
CID 50895551
methyl 2-(3,4-dichloro-N-(3-nitrophenyl)sulfonylanilino)acetate
CID 100523624
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
methyl 2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100541348
methyl 2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100510847
methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate
CID 50894816
N-(3,4-dichlorophenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 1295229
methyl 2-(2-chloro-N-(3-chloro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100510771
methyl 2-(3-chloro-4-methyl-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100533138

Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate?
The IUPAC name of methyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate (CID 50889553) is methyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate.
What is the SMILES notation for methyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate?
The canonical SMILES for methyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate is COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate?
The InChIKey is WHVDIGVOPXZPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4S/c1-22-15(19)10-18(11-5-3-2-4-6-11)23(20,21)12-7-8-13(16)14(17)9-12/h2-9H,10H2,1H3.
What are the key properties of methyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate?
methyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate has a molecular weight of 374.25 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate is sourced from PubChem (CID 50889553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).