6-(benzenesulfonyl)-4-(1,3-benzothiazol-6-ylamino)quinoline-3-carboxamide

C23H16N4O3S2 — CID 11213333

IUPAC6-(benzenesulfonyl)-4-(1,3-benzothiazol-6-ylamino)quinoline-3-carboxamide
SMILESNC(=O)c1cnc2ccc(S(=O)(=O)c3ccccc3)cc2c1Nc1ccc2ncsc2c1
InChIInChI=1S/C23H16N4O3S2/c24-23(28)18-12-25-19-9-7-16(32(29,30)15-4-2-1-3-5-15)11-17(19)22(18)27-14-6-8-20-21(10-14)31-13-26-20/h1-13H,(H2,24,28)(H,25,27)
InChIKeyRAGBNJQZNHUKTQ-UHFFFAOYSA-N
MW460.54 g/mol
LogP4.52
Rot. Bonds5

About 6-(benzenesulfonyl)-4-(1,3-benzothiazol-6-ylamino)quinoline-3-carboxamide

6-(benzenesulfonyl)-4-(1,3-benzothiazol-6-ylamino)quinoline-3-carboxamide (PubChem CID 11213333) has the molecular formula C23H16N4O3S2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-4-(1,3-benzothiazol-6-ylamino)quinoline-3-carboxamide.

Molecular Properties

Compound Name6-(benzenesulfonyl)-4-(1,3-benzothiazol-6-ylamino)quinoline-3-carboxamide
PubChem CID11213333
Molecular FormulaC23H16N4O3S2
Molecular Weight460.54 g/mol
Exact Mass460.07
IUPAC Name6-(benzenesulfonyl)-4-(1,3-benzothiazol-6-ylamino)quinoline-3-carboxamide
SMILESNC(=O)c1cnc2ccc(S(=O)(=O)c3ccccc3)cc2c1Nc1ccc2ncsc2c1
InChIInChI=1S/C23H16N4O3S2/c24-23(28)18-12-25-19-9-7-16(32(29,30)15-4-2-1-3-5-15)11-17(19)22(18)27-14-6-8-20-21(10-14)31-13-26-20/h1-13H,(H2,24,28)(H,25,27)
InChIKeyRAGBNJQZNHUKTQ-UHFFFAOYSA-N
XLogP4.52
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-4-(1,3-benzothiazol-6-ylamino)quinoline-3-carboxamide?
The IUPAC name of 6-(benzenesulfonyl)-4-(1,3-benzothiazol-6-ylamino)quinoline-3-carboxamide (CID 11213333) is 6-(benzenesulfonyl)-4-(1,3-benzothiazol-6-ylamino)quinoline-3-carboxamide.
What is the SMILES notation for 6-(benzenesulfonyl)-4-(1,3-benzothiazol-6-ylamino)quinoline-3-carboxamide?
The canonical SMILES for 6-(benzenesulfonyl)-4-(1,3-benzothiazol-6-ylamino)quinoline-3-carboxamide is NC(=O)c1cnc2ccc(S(=O)(=O)c3ccccc3)cc2c1Nc1ccc2ncsc2c1.
What is the InChIKey of 6-(benzenesulfonyl)-4-(1,3-benzothiazol-6-ylamino)quinoline-3-carboxamide?
The InChIKey is RAGBNJQZNHUKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3S2/c24-23(28)18-12-25-19-9-7-16(32(29,30)15-4-2-1-3-5-15)11-17(19)22(18)27-14-6-8-20-21(10-14)31-13-26-20/h1-13H,(H2,24,28)(H,25,27).
What are the key properties of 6-(benzenesulfonyl)-4-(1,3-benzothiazol-6-ylamino)quinoline-3-carboxamide?
6-(benzenesulfonyl)-4-(1,3-benzothiazol-6-ylamino)quinoline-3-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-4-(1,3-benzothiazol-6-ylamino)quinoline-3-carboxamide is sourced from PubChem (CID 11213333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).