3-amino-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-phenylindol-2-one

C22H19ClN2O5S — CID 19076543

IUPAC3-amino-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-phenylindol-2-one
SMILESCOc1ccc(S(=O)(=O)N2C(=O)C(N)(c3ccccc3)c3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C22H19ClN2O5S/c1-29-16-9-11-20(19(13-16)30-2)31(27,28)25-18-10-8-15(23)12-17(18)22(24,21(25)26)14-6-4-3-5-7-14/h3-13H,24H2,1-2H3
InChIKeySHLHWJJKXIDQBJ-UHFFFAOYSA-N
MW458.92 g/mol
LogP3.30
Rot. Bonds5

About 3-amino-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-phenylindol-2-one

3-amino-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-phenylindol-2-one (PubChem CID 19076543) has the molecular formula C22H19ClN2O5S and a molecular weight of 458.92 g/mol. Its IUPAC name is 3-amino-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-phenylindol-2-one.

Molecular Properties

Compound Name3-amino-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-phenylindol-2-one
PubChem CID19076543
Molecular FormulaC22H19ClN2O5S
Molecular Weight458.92 g/mol
Exact Mass458.07
IUPAC Name3-amino-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-phenylindol-2-one
SMILESCOc1ccc(S(=O)(=O)N2C(=O)C(N)(c3ccccc3)c3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C22H19ClN2O5S/c1-29-16-9-11-20(19(13-16)30-2)31(27,28)25-18-10-8-15(23)12-17(18)22(24,21(25)26)14-6-4-3-5-7-14/h3-13H,24H2,1-2H3
InChIKeySHLHWJJKXIDQBJ-UHFFFAOYSA-N
XLogP3.30
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.92
LogP ≤ 53.30
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-1-(2,4-dimethoxyphenyl)sulfonyl-3-phenylindol-2-one?
The IUPAC name of 3-amino-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-phenylindol-2-one (CID 19076543) is 3-amino-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-phenylindol-2-one.
What is the SMILES notation for 3-amino-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-phenylindol-2-one?
The canonical SMILES for 3-amino-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-phenylindol-2-one is COc1ccc(S(=O)(=O)N2C(=O)C(N)(c3ccccc3)c3cc(Cl)ccc32)c(OC)c1.
What is the InChIKey of 3-amino-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-phenylindol-2-one?
The InChIKey is SHLHWJJKXIDQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O5S/c1-29-16-9-11-20(19(13-16)30-2)31(27,28)25-18-10-8-15(23)12-17(18)22(24,21(25)26)14-6-4-3-5-7-14/h3-13H,24H2,1-2H3.
What are the key properties of 3-amino-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-phenylindol-2-one?
3-amino-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-phenylindol-2-one has a molecular weight of 458.92 g/mol, XLogP of 3.30, 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-1-(2,4-dimethoxyphenyl)sulfonyl-3-phenylindol-2-one is sourced from PubChem (CID 19076543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).