6-(benzenesulfonyl)-4-(pyridin-3-ylamino)quinoline-3-carboxamide

C21H16N4O3S — CID 45485431

IUPAC6-(benzenesulfonyl)-4-(pyridin-3-ylamino)quinoline-3-carboxamide
SMILESNC(=O)c1cnc2ccc(S(=O)(=O)c3ccccc3)cc2c1Nc1cccnc1
InChIInChI=1S/C21H16N4O3S/c22-21(26)18-13-24-19-9-8-16(29(27,28)15-6-2-1-3-7-15)11-17(19)20(18)25-14-5-4-10-23-12-14/h1-13H,(H2,22,26)(H,24,25)
InChIKeyZVFYKOJNSWNJIT-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.31
Rot. Bonds5

About 6-(benzenesulfonyl)-4-(pyridin-3-ylamino)quinoline-3-carboxamide

6-(benzenesulfonyl)-4-(pyridin-3-ylamino)quinoline-3-carboxamide (PubChem CID 45485431) has the molecular formula C21H16N4O3S and a molecular weight of 404.45 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-4-(pyridin-3-ylamino)quinoline-3-carboxamide.

Molecular Properties

Compound Name6-(benzenesulfonyl)-4-(pyridin-3-ylamino)quinoline-3-carboxamide
PubChem CID45485431
Molecular FormulaC21H16N4O3S
Molecular Weight404.45 g/mol
Exact Mass404.09
IUPAC Name6-(benzenesulfonyl)-4-(pyridin-3-ylamino)quinoline-3-carboxamide
SMILESNC(=O)c1cnc2ccc(S(=O)(=O)c3ccccc3)cc2c1Nc1cccnc1
InChIInChI=1S/C21H16N4O3S/c22-21(26)18-13-24-19-9-8-16(29(27,28)15-6-2-1-3-7-15)11-17(19)20(18)25-14-5-4-10-23-12-14/h1-13H,(H2,22,26)(H,24,25)
InChIKeyZVFYKOJNSWNJIT-UHFFFAOYSA-N
XLogP3.31
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-4-(pyridin-3-ylamino)quinoline-3-carboxamide?
The IUPAC name of 6-(benzenesulfonyl)-4-(pyridin-3-ylamino)quinoline-3-carboxamide (CID 45485431) is 6-(benzenesulfonyl)-4-(pyridin-3-ylamino)quinoline-3-carboxamide.
What is the SMILES notation for 6-(benzenesulfonyl)-4-(pyridin-3-ylamino)quinoline-3-carboxamide?
The canonical SMILES for 6-(benzenesulfonyl)-4-(pyridin-3-ylamino)quinoline-3-carboxamide is NC(=O)c1cnc2ccc(S(=O)(=O)c3ccccc3)cc2c1Nc1cccnc1.
What is the InChIKey of 6-(benzenesulfonyl)-4-(pyridin-3-ylamino)quinoline-3-carboxamide?
The InChIKey is ZVFYKOJNSWNJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3S/c22-21(26)18-13-24-19-9-8-16(29(27,28)15-6-2-1-3-7-15)11-17(19)20(18)25-14-5-4-10-23-12-14/h1-13H,(H2,22,26)(H,24,25).
What are the key properties of 6-(benzenesulfonyl)-4-(pyridin-3-ylamino)quinoline-3-carboxamide?
6-(benzenesulfonyl)-4-(pyridin-3-ylamino)quinoline-3-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-4-(pyridin-3-ylamino)quinoline-3-carboxamide is sourced from PubChem (CID 45485431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).