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

C23H19N3O4S — CID 11750855

IUPAC6-(benzenesulfonyl)-4-(3-methoxyanilino)quinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3ccc(S(=O)(=O)c4ccccc4)cc23)c1
InChIInChI=1S/C23H19N3O4S/c1-30-16-7-5-6-15(12-16)26-22-19-13-18(31(28,29)17-8-3-2-4-9-17)10-11-21(19)25-14-20(22)23(24)27/h2-14H,1H3,(H2,24,27)(H,25,26)
InChIKeyIURZMJIFWFMQKM-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.92
Rot. Bonds6

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

6-(benzenesulfonyl)-4-(3-methoxyanilino)quinoline-3-carboxamide (PubChem CID 11750855) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-4-(3-methoxyanilino)quinoline-3-carboxamide.

Molecular Properties

Compound Name6-(benzenesulfonyl)-4-(3-methoxyanilino)quinoline-3-carboxamide
PubChem CID11750855
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC Name6-(benzenesulfonyl)-4-(3-methoxyanilino)quinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3ccc(S(=O)(=O)c4ccccc4)cc23)c1
InChIInChI=1S/C23H19N3O4S/c1-30-16-7-5-6-15(12-16)26-22-19-13-18(31(28,29)17-8-3-2-4-9-17)10-11-21(19)25-14-20(22)23(24)27/h2-14H,1H3,(H2,24,27)(H,25,26)
InChIKeyIURZMJIFWFMQKM-UHFFFAOYSA-N
XLogP3.92
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.92
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-methoxyanilino)quinoline-3-carboxamide?
The IUPAC name of 6-(benzenesulfonyl)-4-(3-methoxyanilino)quinoline-3-carboxamide (CID 11750855) is 6-(benzenesulfonyl)-4-(3-methoxyanilino)quinoline-3-carboxamide.
What is the SMILES notation for 6-(benzenesulfonyl)-4-(3-methoxyanilino)quinoline-3-carboxamide?
The canonical SMILES for 6-(benzenesulfonyl)-4-(3-methoxyanilino)quinoline-3-carboxamide is COc1cccc(Nc2c(C(N)=O)cnc3ccc(S(=O)(=O)c4ccccc4)cc23)c1.
What is the InChIKey of 6-(benzenesulfonyl)-4-(3-methoxyanilino)quinoline-3-carboxamide?
The InChIKey is IURZMJIFWFMQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S/c1-30-16-7-5-6-15(12-16)26-22-19-13-18(31(28,29)17-8-3-2-4-9-17)10-11-21(19)25-14-20(22)23(24)27/h2-14H,1H3,(H2,24,27)(H,25,26).
What are the key properties of 6-(benzenesulfonyl)-4-(3-methoxyanilino)quinoline-3-carboxamide?
6-(benzenesulfonyl)-4-(3-methoxyanilino)quinoline-3-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-4-(3-methoxyanilino)quinoline-3-carboxamide is sourced from PubChem (CID 11750855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).