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

C22H17N3O3S — CID 45485455

IUPAC4-anilino-6-(benzenesulfonyl)quinoline-3-carboxamide
SMILESNC(=O)c1cnc2ccc(S(=O)(=O)c3ccccc3)cc2c1Nc1ccccc1
InChIInChI=1S/C22H17N3O3S/c23-22(26)19-14-24-20-12-11-17(29(27,28)16-9-5-2-6-10-16)13-18(20)21(19)25-15-7-3-1-4-8-15/h1-14H,(H2,23,26)(H,24,25)
InChIKeyNJCKKZFNVJMMLN-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.91
Rot. Bonds5

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

4-anilino-6-(benzenesulfonyl)quinoline-3-carboxamide (PubChem CID 45485455) has the molecular formula C22H17N3O3S and a molecular weight of 403.46 g/mol. Its IUPAC name is 4-anilino-6-(benzenesulfonyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-anilino-6-(benzenesulfonyl)quinoline-3-carboxamide
PubChem CID45485455
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC Name4-anilino-6-(benzenesulfonyl)quinoline-3-carboxamide
SMILESNC(=O)c1cnc2ccc(S(=O)(=O)c3ccccc3)cc2c1Nc1ccccc1
InChIInChI=1S/C22H17N3O3S/c23-22(26)19-14-24-20-12-11-17(29(27,28)16-9-5-2-6-10-16)13-18(20)21(19)25-15-7-3-1-4-8-15/h1-14H,(H2,23,26)(H,24,25)
InChIKeyNJCKKZFNVJMMLN-UHFFFAOYSA-N
XLogP3.91
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-6-(benzenesulfonyl)quinoline-3-carboxamide?
The IUPAC name of 4-anilino-6-(benzenesulfonyl)quinoline-3-carboxamide (CID 45485455) is 4-anilino-6-(benzenesulfonyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-anilino-6-(benzenesulfonyl)quinoline-3-carboxamide?
The canonical SMILES for 4-anilino-6-(benzenesulfonyl)quinoline-3-carboxamide is NC(=O)c1cnc2ccc(S(=O)(=O)c3ccccc3)cc2c1Nc1ccccc1.
What is the InChIKey of 4-anilino-6-(benzenesulfonyl)quinoline-3-carboxamide?
The InChIKey is NJCKKZFNVJMMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S/c23-22(26)19-14-24-20-12-11-17(29(27,28)16-9-5-2-6-10-16)13-18(20)21(19)25-15-7-3-1-4-8-15/h1-14H,(H2,23,26)(H,24,25).
What are the key properties of 4-anilino-6-(benzenesulfonyl)quinoline-3-carboxamide?
4-anilino-6-(benzenesulfonyl)quinoline-3-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-6-(benzenesulfonyl)quinoline-3-carboxamide is sourced from PubChem (CID 45485455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).