5-chloro-3-(3-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide

C23H18Cl2N2O4S — CID 22401464

IUPAC5-chloro-3-(3-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2[nH]c3ccc(Cl)cc3c2S(=O)(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C23H18Cl2N2O4S/c1-31-17-6-2-4-14(10-17)13-26-23(28)21-22(19-12-16(25)8-9-20(19)27-21)32(29,30)18-7-3-5-15(24)11-18/h2-12,27H,13H2,1H3,(H,26,28)
InChIKeyHPSYHXWPDMNLLU-UHFFFAOYSA-N
MW489.38 g/mol
LogP5.25
Rot. Bonds6

About 5-chloro-3-(3-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide

5-chloro-3-(3-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 22401464) has the molecular formula C23H18Cl2N2O4S and a molecular weight of 489.38 g/mol. Its IUPAC name is 5-chloro-3-(3-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(3-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID22401464
Molecular FormulaC23H18Cl2N2O4S
Molecular Weight489.38 g/mol
Exact Mass488.04
IUPAC Name5-chloro-3-(3-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide
SMILESCOc1cccc(CNC(=O)c2[nH]c3ccc(Cl)cc3c2S(=O)(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C23H18Cl2N2O4S/c1-31-17-6-2-4-14(10-17)13-26-23(28)21-22(19-12-16(25)8-9-20(19)27-21)32(29,30)18-7-3-5-15(24)11-18/h2-12,27H,13H2,1H3,(H,26,28)
InChIKeyHPSYHXWPDMNLLU-UHFFFAOYSA-N
XLogP5.25
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.38
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-(2,6-dimethylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
CID 118722692
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide
CID 51353994
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
2-(2,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495803
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
CID 3013828
3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 27231758
4-chloro-N-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 18104585
5-[(3,5-dichlorophenyl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]naphthalene-1-carboxamide
CID 66908825
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-ethylsulfonyl-1H-indole-2-carboxamide
CID 155519742
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 7471723
ethyl 2-[[2-[[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carbonyl]amino]acetyl]amino]acetate
CID 11318113
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]-1H-indole-2-carboxamide
CID 175442318

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-(3-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide (CID 22401464) is 5-chloro-3-(3-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-(3-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-(3-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide is COc1cccc(CNC(=O)c2[nH]c3ccc(Cl)cc3c2S(=O)(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 5-chloro-3-(3-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is HPSYHXWPDMNLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O4S/c1-31-17-6-2-4-14(10-17)13-26-23(28)21-22(19-12-16(25)8-9-20(19)27-21)32(29,30)18-7-3-5-15(24)11-18/h2-12,27H,13H2,1H3,(H,26,28).
What are the key properties of 5-chloro-3-(3-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide?
5-chloro-3-(3-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 489.38 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 22401464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).