propan-2-yl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate

C18H18Cl3NO5S — CID 50894846

IUPACpropan-2-yl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate
SMILESCOc1ccc(Cl)cc1N(CC(=O)OC(C)C)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl3NO5S/c1-11(2)27-18(23)10-22(16-8-12(19)4-7-17(16)26-3)28(24,25)13-5-6-14(20)15(21)9-13/h4-9,11H,10H2,1-3H3
InChIKeyURRQLUXGDDOOLI-UHFFFAOYSA-N
MW466.77 g/mol
LogP4.80
Rot. Bonds7

About propan-2-yl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate

propan-2-yl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate (PubChem CID 50894846) has the molecular formula C18H18Cl3NO5S and a molecular weight of 466.77 g/mol. Its IUPAC name is propan-2-yl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate
PubChem CID50894846
Molecular FormulaC18H18Cl3NO5S
Molecular Weight466.77 g/mol
Exact Mass465.00
IUPAC Namepropan-2-yl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate
SMILESCOc1ccc(Cl)cc1N(CC(=O)OC(C)C)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl3NO5S/c1-11(2)27-18(23)10-22(16-8-12(19)4-7-17(16)26-3)28(24,25)13-5-6-14(20)15(21)9-13/h4-9,11H,10H2,1-3H3
InChIKeyURRQLUXGDDOOLI-UHFFFAOYSA-N
XLogP4.80
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.77
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate
CID 50894816
2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 23519212
2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid
CID 100532770
propan-2-yl 2-[N-(benzenesulfonyl)-2,4,5-trichloroanilino]acetate
CID 50895363
2-(N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-(3-methylbutan-2-yl)acetamide
CID 42977229
ethyl 2-(5-chloro-2-methoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetate
CID 100517631
(2R)-2-[[2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 125068616
methyl 2-(4-chloro-N-(3,4-dichlorophenyl)sulfonylanilino)acetate
CID 50890323
propan-2-yl 2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)acetate
CID 50891344
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetamide
CID 1102414
propan-2-yl 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetate
CID 50893989
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-pentan-2-yl]acetamide
CID 126342579

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate?
The IUPAC name of propan-2-yl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate (CID 50894846) is propan-2-yl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate.
What is the SMILES notation for propan-2-yl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate?
The canonical SMILES for propan-2-yl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate is COc1ccc(Cl)cc1N(CC(=O)OC(C)C)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of propan-2-yl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate?
The InChIKey is URRQLUXGDDOOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl3NO5S/c1-11(2)27-18(23)10-22(16-8-12(19)4-7-17(16)26-3)28(24,25)13-5-6-14(20)15(21)9-13/h4-9,11H,10H2,1-3H3.
What are the key properties of propan-2-yl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate?
propan-2-yl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate has a molecular weight of 466.77 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate is sourced from PubChem (CID 50894846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).