3,4-difluoro-N-quinolin-8-ylbenzenesulfonamide

C15H10F2N2O2S — CID 3830428

IUPAC3,4-difluoro-N-quinolin-8-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2cccnc12)c1ccc(F)c(F)c1
InChIInChI=1S/C15H10F2N2O2S/c16-12-7-6-11(9-13(12)17)22(20,21)19-14-5-1-3-10-4-2-8-18-15(10)14/h1-9,19H
InChIKeyNQCNEVUKFGBOBT-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.31
Rot. Bonds3

About 3,4-difluoro-N-quinolin-8-ylbenzenesulfonamide

3,4-difluoro-N-quinolin-8-ylbenzenesulfonamide (PubChem CID 3830428) has the molecular formula C15H10F2N2O2S and a molecular weight of 320.32 g/mol. Its IUPAC name is 3,4-difluoro-N-quinolin-8-ylbenzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-quinolin-8-ylbenzenesulfonamide
PubChem CID3830428
Molecular FormulaC15H10F2N2O2S
Molecular Weight320.32 g/mol
Exact Mass320.04
IUPAC Name3,4-difluoro-N-quinolin-8-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2cccnc12)c1ccc(F)c(F)c1
InChIInChI=1S/C15H10F2N2O2S/c16-12-7-6-11(9-13(12)17)22(20,21)19-14-5-1-3-10-4-2-8-18-15(10)14/h1-9,19H
InChIKeyNQCNEVUKFGBOBT-UHFFFAOYSA-N
XLogP3.31
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-quinolin-8-ylbenzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-quinolin-8-ylbenzenesulfonamide (CID 3830428) is 3,4-difluoro-N-quinolin-8-ylbenzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-quinolin-8-ylbenzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-quinolin-8-ylbenzenesulfonamide is O=S(=O)(Nc1cccc2cccnc12)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-quinolin-8-ylbenzenesulfonamide?
The InChIKey is NQCNEVUKFGBOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2S/c16-12-7-6-11(9-13(12)17)22(20,21)19-14-5-1-3-10-4-2-8-18-15(10)14/h1-9,19H.
What are the key properties of 3,4-difluoro-N-quinolin-8-ylbenzenesulfonamide?
3,4-difluoro-N-quinolin-8-ylbenzenesulfonamide has a molecular weight of 320.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-quinolin-8-ylbenzenesulfonamide is sourced from PubChem (CID 3830428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).