N-(3,5-dichloro-4-pyridinyl)-3-ethyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide

C23H19Cl2N3O3S — CID 22663364

IUPACN-(3,5-dichloro-4-pyridinyl)-3-ethyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide
SMILESCCc1cn(S(=O)(=O)c2ccc(C)cc2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12
InChIInChI=1S/C23H19Cl2N3O3S/c1-3-15-13-28(32(30,31)17-7-4-14(2)5-8-17)21-10-16(6-9-18(15)21)23(29)27-22-19(24)11-26-12-20(22)25/h4-13H,3H2,1-2H3,(H,26,27,29)
InChIKeyUABXQCCWRDSYTF-UHFFFAOYSA-N
MW488.40 g/mol
LogP5.70
Rot. Bonds5

About N-(3,5-dichloro-4-pyridinyl)-3-ethyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide

N-(3,5-dichloro-4-pyridinyl)-3-ethyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide (PubChem CID 22663364) has the molecular formula C23H19Cl2N3O3S and a molecular weight of 488.40 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-3-ethyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-3-ethyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide
PubChem CID22663364
Molecular FormulaC23H19Cl2N3O3S
Molecular Weight488.40 g/mol
Exact Mass487.05
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-3-ethyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide
SMILESCCc1cn(S(=O)(=O)c2ccc(C)cc2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12
InChIInChI=1S/C23H19Cl2N3O3S/c1-3-15-13-28(32(30,31)17-7-4-14(2)5-8-17)21-10-16(6-9-18(15)21)23(29)27-22-19(24)11-26-12-20(22)25/h4-13H,3H2,1-2H3,(H,26,27,29)
InChIKeyUABXQCCWRDSYTF-UHFFFAOYSA-N
XLogP5.70
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.40
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-3-ethyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-3-ethyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide (CID 22663364) is N-(3,5-dichloro-4-pyridinyl)-3-ethyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-3-ethyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-3-ethyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide is CCc1cn(S(=O)(=O)c2ccc(C)cc2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-3-ethyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide?
The InChIKey is UABXQCCWRDSYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O3S/c1-3-15-13-28(32(30,31)17-7-4-14(2)5-8-17)21-10-16(6-9-18(15)21)23(29)27-22-19(24)11-26-12-20(22)25/h4-13H,3H2,1-2H3,(H,26,27,29).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-3-ethyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-3-ethyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide has a molecular weight of 488.40 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-3-ethyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide is sourced from PubChem (CID 22663364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).