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

C22H17Cl2N3O3S — CID 22663231

IUPACN-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide
SMILESCc1ccc(S(=O)(=O)n2cc(C)c3ccc(C(=O)Nc4c(Cl)cncc4Cl)cc32)cc1
InChIInChI=1S/C22H17Cl2N3O3S/c1-13-3-6-16(7-4-13)31(29,30)27-12-14(2)17-8-5-15(9-20(17)27)22(28)26-21-18(23)10-25-11-19(21)24/h3-12H,1-2H3,(H,25,26,28)
InChIKeyVMCWSNPVMPDJKY-UHFFFAOYSA-N
MW474.37 g/mol
LogP5.45
Rot. Bonds4

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

N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide (PubChem CID 22663231) has the molecular formula C22H17Cl2N3O3S and a molecular weight of 474.37 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide
PubChem CID22663231
Molecular FormulaC22H17Cl2N3O3S
Molecular Weight474.37 g/mol
Exact Mass473.04
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide
SMILESCc1ccc(S(=O)(=O)n2cc(C)c3ccc(C(=O)Nc4c(Cl)cncc4Cl)cc32)cc1
InChIInChI=1S/C22H17Cl2N3O3S/c1-13-3-6-16(7-4-13)31(29,30)27-12-14(2)17-8-5-15(9-20(17)27)22(28)26-21-18(23)10-25-11-19(21)24/h3-12H,1-2H3,(H,25,26,28)
InChIKeyVMCWSNPVMPDJKY-UHFFFAOYSA-N
XLogP5.45
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.37
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide (CID 22663231) is N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide is Cc1ccc(S(=O)(=O)n2cc(C)c3ccc(C(=O)Nc4c(Cl)cncc4Cl)cc32)cc1.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide?
The InChIKey is VMCWSNPVMPDJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O3S/c1-13-3-6-16(7-4-13)31(29,30)27-12-14(2)17-8-5-15(9-20(17)27)22(28)26-21-18(23)10-25-11-19(21)24/h3-12H,1-2H3,(H,25,26,28).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide has a molecular weight of 474.37 g/mol, XLogP of 5.45, 4 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-methyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide is sourced from PubChem (CID 22663231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).