3-amino-5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonylindol-2-one

C22H18Cl2N2O5S — CID 15284463

IUPAC3-amino-5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonylindol-2-one
SMILESCOc1ccc(S(=O)(=O)N2C(=O)C(N)(c3ccccc3Cl)c3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C22H18Cl2N2O5S/c1-30-14-8-10-20(19(12-14)31-2)32(28,29)26-18-9-7-13(23)11-16(18)22(25,21(26)27)15-5-3-4-6-17(15)24/h3-12H,25H2,1-2H3
InChIKeyQRVUSNBJFKCVCA-UHFFFAOYSA-N
MW493.37 g/mol
LogP3.95
Rot. Bonds5

About 3-amino-5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonylindol-2-one

3-amino-5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonylindol-2-one (PubChem CID 15284463) has the molecular formula C22H18Cl2N2O5S and a molecular weight of 493.37 g/mol. Its IUPAC name is 3-amino-5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonylindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonylindol-2-one
PubChem CID15284463
Molecular FormulaC22H18Cl2N2O5S
Molecular Weight493.37 g/mol
Exact Mass492.03
IUPAC Name3-amino-5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonylindol-2-one
SMILESCOc1ccc(S(=O)(=O)N2C(=O)C(N)(c3ccccc3Cl)c3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C22H18Cl2N2O5S/c1-30-14-8-10-20(19(12-14)31-2)32(28,29)26-18-9-7-13(23)11-16(18)22(25,21(26)27)15-5-3-4-6-17(15)24/h3-12H,25H2,1-2H3
InChIKeyQRVUSNBJFKCVCA-UHFFFAOYSA-N
XLogP3.95
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonylindol-2-one?
The IUPAC name of 3-amino-5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonylindol-2-one (CID 15284463) is 3-amino-5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonylindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonylindol-2-one?
The canonical SMILES for 3-amino-5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonylindol-2-one is COc1ccc(S(=O)(=O)N2C(=O)C(N)(c3ccccc3Cl)c3cc(Cl)ccc32)c(OC)c1.
What is the InChIKey of 3-amino-5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonylindol-2-one?
The InChIKey is QRVUSNBJFKCVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O5S/c1-30-14-8-10-20(19(12-14)31-2)32(28,29)26-18-9-7-13(23)11-16(18)22(25,21(26)27)15-5-3-4-6-17(15)24/h3-12H,25H2,1-2H3.
What are the key properties of 3-amino-5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonylindol-2-one?
3-amino-5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonylindol-2-one has a molecular weight of 493.37 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-3-(2-chlorophenyl)-1-(2,4-dimethoxyphenyl)sulfonylindol-2-one is sourced from PubChem (CID 15284463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).