N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxo-3-phenylindol-3-yl]acetamide

C24H21ClN2O6S — CID 19076506

IUPACN-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxo-3-phenylindol-3-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2C(=O)C(NC(C)=O)(c3ccccc3)c3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C24H21ClN2O6S/c1-15(28)26-24(16-7-5-4-6-8-16)19-13-17(25)9-11-20(19)27(23(24)29)34(30,31)22-12-10-18(32-2)14-21(22)33-3/h4-14H,1-3H3,(H,26,28)
InChIKeyQTXAHALBBMAERN-UHFFFAOYSA-N
MW500.96 g/mol
LogP3.47
Rot. Bonds6

About N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxo-3-phenylindol-3-yl]acetamide

N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxo-3-phenylindol-3-yl]acetamide (PubChem CID 19076506) has the molecular formula C24H21ClN2O6S and a molecular weight of 500.96 g/mol. Its IUPAC name is N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxo-3-phenylindol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxo-3-phenylindol-3-yl]acetamide
PubChem CID19076506
Molecular FormulaC24H21ClN2O6S
Molecular Weight500.96 g/mol
Exact Mass500.08
IUPAC NameN-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxo-3-phenylindol-3-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2C(=O)C(NC(C)=O)(c3ccccc3)c3cc(Cl)ccc32)c(OC)c1
InChIInChI=1S/C24H21ClN2O6S/c1-15(28)26-24(16-7-5-4-6-8-16)19-13-17(25)9-11-20(19)27(23(24)29)34(30,31)22-12-10-18(32-2)14-21(22)33-3/h4-14H,1-3H3,(H,26,28)
InChIKeyQTXAHALBBMAERN-UHFFFAOYSA-N
XLogP3.47
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.96
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxo-3-phenylindol-3-yl]acetamide?
The IUPAC name of N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxo-3-phenylindol-3-yl]acetamide (CID 19076506) is N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxo-3-phenylindol-3-yl]acetamide.
What is the SMILES notation for N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxo-3-phenylindol-3-yl]acetamide?
The canonical SMILES for N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxo-3-phenylindol-3-yl]acetamide is COc1ccc(S(=O)(=O)N2C(=O)C(NC(C)=O)(c3ccccc3)c3cc(Cl)ccc32)c(OC)c1.
What is the InChIKey of N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxo-3-phenylindol-3-yl]acetamide?
The InChIKey is QTXAHALBBMAERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O6S/c1-15(28)26-24(16-7-5-4-6-8-16)19-13-17(25)9-11-20(19)27(23(24)29)34(30,31)22-12-10-18(32-2)14-21(22)33-3/h4-14H,1-3H3,(H,26,28).
What are the key properties of N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxo-3-phenylindol-3-yl]acetamide?
N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxo-3-phenylindol-3-yl]acetamide has a molecular weight of 500.96 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-oxo-3-phenylindol-3-yl]acetamide is sourced from PubChem (CID 19076506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).