4-[(4-fluorophenyl)sulfonylamino]-N-quinolin-2-ylbenzamide

C22H16FN3O3S — CID 55376349

IUPAC4-[(4-fluorophenyl)sulfonylamino]-N-quinolin-2-ylbenzamide
SMILESO=C(Nc1ccc2ccccc2n1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H16FN3O3S/c23-17-8-12-19(13-9-17)30(28,29)26-18-10-5-16(6-11-18)22(27)25-21-14-7-15-3-1-2-4-20(15)24-21/h1-14,26H,(H,24,25,27)
InChIKeyOVFFNFHGGBDEID-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.43
Rot. Bonds5

About 4-[(4-fluorophenyl)sulfonylamino]-N-quinolin-2-ylbenzamide

4-[(4-fluorophenyl)sulfonylamino]-N-quinolin-2-ylbenzamide (PubChem CID 55376349) has the molecular formula C22H16FN3O3S and a molecular weight of 421.45 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonylamino]-N-quinolin-2-ylbenzamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonylamino]-N-quinolin-2-ylbenzamide
PubChem CID55376349
Molecular FormulaC22H16FN3O3S
Molecular Weight421.45 g/mol
Exact Mass421.09
IUPAC Name4-[(4-fluorophenyl)sulfonylamino]-N-quinolin-2-ylbenzamide
SMILESO=C(Nc1ccc2ccccc2n1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H16FN3O3S/c23-17-8-12-19(13-9-17)30(28,29)26-18-10-5-16(6-11-18)22(27)25-21-14-7-15-3-1-2-4-20(15)24-21/h1-14,26H,(H,24,25,27)
InChIKeyOVFFNFHGGBDEID-UHFFFAOYSA-N
XLogP4.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-quinolin-2-ylbenzamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-quinolin-2-ylbenzamide (CID 55376349) is 4-[(4-fluorophenyl)sulfonylamino]-N-quinolin-2-ylbenzamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonylamino]-N-quinolin-2-ylbenzamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonylamino]-N-quinolin-2-ylbenzamide is O=C(Nc1ccc2ccccc2n1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonylamino]-N-quinolin-2-ylbenzamide?
The InChIKey is OVFFNFHGGBDEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3S/c23-17-8-12-19(13-9-17)30(28,29)26-18-10-5-16(6-11-18)22(27)25-21-14-7-15-3-1-2-4-20(15)24-21/h1-14,26H,(H,24,25,27).
What are the key properties of 4-[(4-fluorophenyl)sulfonylamino]-N-quinolin-2-ylbenzamide?
4-[(4-fluorophenyl)sulfonylamino]-N-quinolin-2-ylbenzamide has a molecular weight of 421.45 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonylamino]-N-quinolin-2-ylbenzamide is sourced from PubChem (CID 55376349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).