2-[2,4-dichloro-5-methoxy-3-(4-methylphenyl)sulfonylanilino]acetic acid

C16H15Cl2NO5S — CID 20850908

IUPAC2-[2,4-dichloro-5-methoxy-3-(4-methylphenyl)sulfonylanilino]acetic acid
SMILESCOc1cc(NCC(=O)O)c(Cl)c(S(=O)(=O)c2ccc(C)cc2)c1Cl
InChIInChI=1S/C16H15Cl2NO5S/c1-9-3-5-10(6-4-9)25(22,23)16-14(17)11(19-8-13(20)21)7-12(24-2)15(16)18/h3-7,19H,8H2,1-2H3,(H,20,21)
InChIKeyOZVZSILZOGMQCJ-UHFFFAOYSA-N
MW404.27 g/mol
LogP3.64
Rot. Bonds6

About 2-[2,4-dichloro-5-methoxy-3-(4-methylphenyl)sulfonylanilino]acetic acid

2-[2,4-dichloro-5-methoxy-3-(4-methylphenyl)sulfonylanilino]acetic acid (PubChem CID 20850908) has the molecular formula C16H15Cl2NO5S and a molecular weight of 404.27 g/mol. Its IUPAC name is 2-[2,4-dichloro-5-methoxy-3-(4-methylphenyl)sulfonylanilino]acetic acid.

Molecular Properties

Compound Name2-[2,4-dichloro-5-methoxy-3-(4-methylphenyl)sulfonylanilino]acetic acid
PubChem CID20850908
Molecular FormulaC16H15Cl2NO5S
Molecular Weight404.27 g/mol
Exact Mass403.00
IUPAC Name2-[2,4-dichloro-5-methoxy-3-(4-methylphenyl)sulfonylanilino]acetic acid
SMILESCOc1cc(NCC(=O)O)c(Cl)c(S(=O)(=O)c2ccc(C)cc2)c1Cl
InChIInChI=1S/C16H15Cl2NO5S/c1-9-3-5-10(6-4-9)25(22,23)16-14(17)11(19-8-13(20)21)7-12(24-2)15(16)18/h3-7,19H,8H2,1-2H3,(H,20,21)
InChIKeyOZVZSILZOGMQCJ-UHFFFAOYSA-N
XLogP3.64
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-[2,4-dichloro-3-(4-methylphenyl)sulfonyl-5-phenylmethoxyanilino]acetamide
CID 20850921
2-[2-(benzenesulfonyl)-3,4-dichloroanilino]-N-(3,4-dimethoxyphenyl)acetamide
CID 22304597
2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide
CID 22304744
2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid
CID 22301669
2-(2-chloro-5-methylanilino)acetic acid
CID 103691548
2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide
CID 22304342
2-(4-methoxy-2,5-dimethylanilino)acetic acid
CID 82492559
2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(4-methoxyphenyl)acetamide
CID 22304413
methyl 2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetate
CID 22304151
N-cyclohexyl-2-[2,4-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304403
1-methoxy-4-methyl-2-(4-methylphenyl)sulfonylbenzene
CID 145226676
N-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304331

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-5-methoxy-3-(4-methylphenyl)sulfonylanilino]acetic acid?
The IUPAC name of 2-[2,4-dichloro-5-methoxy-3-(4-methylphenyl)sulfonylanilino]acetic acid (CID 20850908) is 2-[2,4-dichloro-5-methoxy-3-(4-methylphenyl)sulfonylanilino]acetic acid.
What is the SMILES notation for 2-[2,4-dichloro-5-methoxy-3-(4-methylphenyl)sulfonylanilino]acetic acid?
The canonical SMILES for 2-[2,4-dichloro-5-methoxy-3-(4-methylphenyl)sulfonylanilino]acetic acid is COc1cc(NCC(=O)O)c(Cl)c(S(=O)(=O)c2ccc(C)cc2)c1Cl.
What is the InChIKey of 2-[2,4-dichloro-5-methoxy-3-(4-methylphenyl)sulfonylanilino]acetic acid?
The InChIKey is OZVZSILZOGMQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO5S/c1-9-3-5-10(6-4-9)25(22,23)16-14(17)11(19-8-13(20)21)7-12(24-2)15(16)18/h3-7,19H,8H2,1-2H3,(H,20,21).
What are the key properties of 2-[2,4-dichloro-5-methoxy-3-(4-methylphenyl)sulfonylanilino]acetic acid?
2-[2,4-dichloro-5-methoxy-3-(4-methylphenyl)sulfonylanilino]acetic acid has a molecular weight of 404.27 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dichloro-5-methoxy-3-(4-methylphenyl)sulfonylanilino]acetic acid is sourced from PubChem (CID 20850908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).