4-(4-cyanophenyl)-N-quinolin-2-ylbenzenesulfonamide

C22H15N3O2S — CID 71579776

IUPAC4-(4-cyanophenyl)-N-quinolin-2-ylbenzenesulfonamide
SMILESN#Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccc4ccccc4n3)cc2)cc1
InChIInChI=1S/C22H15N3O2S/c23-15-16-5-7-17(8-6-16)18-9-12-20(13-10-18)28(26,27)25-22-14-11-19-3-1-2-4-21(19)24-22/h1-14H,(H,24,25)
InChIKeyBLNIEDYQLOQOTI-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.57
Rot. Bonds4

About 4-(4-cyanophenyl)-N-quinolin-2-ylbenzenesulfonamide

4-(4-cyanophenyl)-N-quinolin-2-ylbenzenesulfonamide (PubChem CID 71579776) has the molecular formula C22H15N3O2S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-N-quinolin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-N-quinolin-2-ylbenzenesulfonamide
PubChem CID71579776
Molecular FormulaC22H15N3O2S
Molecular Weight385.45 g/mol
Exact Mass385.09
IUPAC Name4-(4-cyanophenyl)-N-quinolin-2-ylbenzenesulfonamide
SMILESN#Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccc4ccccc4n3)cc2)cc1
InChIInChI=1S/C22H15N3O2S/c23-15-16-5-7-17(8-6-16)18-9-12-20(13-10-18)28(26,27)25-22-14-11-19-3-1-2-4-21(19)24-22/h1-14H,(H,24,25)
InChIKeyBLNIEDYQLOQOTI-UHFFFAOYSA-N
XLogP4.57
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-N-quinolin-2-ylbenzenesulfonamide?
The IUPAC name of 4-(4-cyanophenyl)-N-quinolin-2-ylbenzenesulfonamide (CID 71579776) is 4-(4-cyanophenyl)-N-quinolin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(4-cyanophenyl)-N-quinolin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(4-cyanophenyl)-N-quinolin-2-ylbenzenesulfonamide is N#Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccc4ccccc4n3)cc2)cc1.
What is the InChIKey of 4-(4-cyanophenyl)-N-quinolin-2-ylbenzenesulfonamide?
The InChIKey is BLNIEDYQLOQOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2S/c23-15-16-5-7-17(8-6-16)18-9-12-20(13-10-18)28(26,27)25-22-14-11-19-3-1-2-4-21(19)24-22/h1-14H,(H,24,25).
What are the key properties of 4-(4-cyanophenyl)-N-quinolin-2-ylbenzenesulfonamide?
4-(4-cyanophenyl)-N-quinolin-2-ylbenzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-N-quinolin-2-ylbenzenesulfonamide is sourced from PubChem (CID 71579776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).