6-(benzenesulfonyl)-4-(3-cyanoanilino)quinoline-3-carboxamide

C23H16N4O3S — CID 11430281

IUPAC6-(benzenesulfonyl)-4-(3-cyanoanilino)quinoline-3-carboxamide
SMILESN#Cc1cccc(Nc2c(C(N)=O)cnc3ccc(S(=O)(=O)c4ccccc4)cc23)c1
InChIInChI=1S/C23H16N4O3S/c24-13-15-5-4-6-16(11-15)27-22-19-12-18(31(29,30)17-7-2-1-3-8-17)9-10-21(19)26-14-20(22)23(25)28/h1-12,14H,(H2,25,28)(H,26,27)
InChIKeyMAJAAULQCIQQTM-UHFFFAOYSA-N
MW428.47 g/mol
LogP3.78
Rot. Bonds5

About 6-(benzenesulfonyl)-4-(3-cyanoanilino)quinoline-3-carboxamide

6-(benzenesulfonyl)-4-(3-cyanoanilino)quinoline-3-carboxamide (PubChem CID 11430281) has the molecular formula C23H16N4O3S and a molecular weight of 428.47 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-4-(3-cyanoanilino)quinoline-3-carboxamide.

Molecular Properties

Compound Name6-(benzenesulfonyl)-4-(3-cyanoanilino)quinoline-3-carboxamide
PubChem CID11430281
Molecular FormulaC23H16N4O3S
Molecular Weight428.47 g/mol
Exact Mass428.09
IUPAC Name6-(benzenesulfonyl)-4-(3-cyanoanilino)quinoline-3-carboxamide
SMILESN#Cc1cccc(Nc2c(C(N)=O)cnc3ccc(S(=O)(=O)c4ccccc4)cc23)c1
InChIInChI=1S/C23H16N4O3S/c24-13-15-5-4-6-16(11-15)27-22-19-12-18(31(29,30)17-7-2-1-3-8-17)9-10-21(19)26-14-20(22)23(25)28/h1-12,14H,(H2,25,28)(H,26,27)
InChIKeyMAJAAULQCIQQTM-UHFFFAOYSA-N
XLogP3.78
TPSA125.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-4-(3-cyanoanilino)quinoline-3-carboxamide?
The IUPAC name of 6-(benzenesulfonyl)-4-(3-cyanoanilino)quinoline-3-carboxamide (CID 11430281) is 6-(benzenesulfonyl)-4-(3-cyanoanilino)quinoline-3-carboxamide.
What is the SMILES notation for 6-(benzenesulfonyl)-4-(3-cyanoanilino)quinoline-3-carboxamide?
The canonical SMILES for 6-(benzenesulfonyl)-4-(3-cyanoanilino)quinoline-3-carboxamide is N#Cc1cccc(Nc2c(C(N)=O)cnc3ccc(S(=O)(=O)c4ccccc4)cc23)c1.
What is the InChIKey of 6-(benzenesulfonyl)-4-(3-cyanoanilino)quinoline-3-carboxamide?
The InChIKey is MAJAAULQCIQQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3S/c24-13-15-5-4-6-16(11-15)27-22-19-12-18(31(29,30)17-7-2-1-3-8-17)9-10-21(19)26-14-20(22)23(25)28/h1-12,14H,(H2,25,28)(H,26,27).
What are the key properties of 6-(benzenesulfonyl)-4-(3-cyanoanilino)quinoline-3-carboxamide?
6-(benzenesulfonyl)-4-(3-cyanoanilino)quinoline-3-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-4-(3-cyanoanilino)quinoline-3-carboxamide is sourced from PubChem (CID 11430281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).