5-(4-chloro-6-methylquinolin-3-yl)sulfonyl-2-fluorobenzonitrile

C17H10ClFN2O2S — CID 71823826

IUPAC5-(4-chloro-6-methylquinolin-3-yl)sulfonyl-2-fluorobenzonitrile
SMILESCc1ccc2ncc(S(=O)(=O)c3ccc(F)c(C#N)c3)c(Cl)c2c1
InChIInChI=1S/C17H10ClFN2O2S/c1-10-2-5-15-13(6-10)17(18)16(9-21-15)24(22,23)12-3-4-14(19)11(7-12)8-20/h2-7,9H,1H3
InChIKeyPSWXMIBQMLLHKL-UHFFFAOYSA-N
MW360.80 g/mol
LogP4.04
Rot. Bonds2

About 5-(4-chloro-6-methylquinolin-3-yl)sulfonyl-2-fluorobenzonitrile

5-(4-chloro-6-methylquinolin-3-yl)sulfonyl-2-fluorobenzonitrile (PubChem CID 71823826) has the molecular formula C17H10ClFN2O2S and a molecular weight of 360.80 g/mol. Its IUPAC name is 5-(4-chloro-6-methylquinolin-3-yl)sulfonyl-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-(4-chloro-6-methylquinolin-3-yl)sulfonyl-2-fluorobenzonitrile
PubChem CID71823826
Molecular FormulaC17H10ClFN2O2S
Molecular Weight360.80 g/mol
Exact Mass360.01
IUPAC Name5-(4-chloro-6-methylquinolin-3-yl)sulfonyl-2-fluorobenzonitrile
SMILESCc1ccc2ncc(S(=O)(=O)c3ccc(F)c(C#N)c3)c(Cl)c2c1
InChIInChI=1S/C17H10ClFN2O2S/c1-10-2-5-15-13(6-10)17(18)16(9-21-15)24(22,23)12-3-4-14(19)11(7-12)8-20/h2-7,9H,1H3
InChIKeyPSWXMIBQMLLHKL-UHFFFAOYSA-N
XLogP4.04
TPSA70.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-6-methylquinolin-3-yl)sulfonyl-2-fluorobenzonitrile?
The IUPAC name of 5-(4-chloro-6-methylquinolin-3-yl)sulfonyl-2-fluorobenzonitrile (CID 71823826) is 5-(4-chloro-6-methylquinolin-3-yl)sulfonyl-2-fluorobenzonitrile.
What is the SMILES notation for 5-(4-chloro-6-methylquinolin-3-yl)sulfonyl-2-fluorobenzonitrile?
The canonical SMILES for 5-(4-chloro-6-methylquinolin-3-yl)sulfonyl-2-fluorobenzonitrile is Cc1ccc2ncc(S(=O)(=O)c3ccc(F)c(C#N)c3)c(Cl)c2c1.
What is the InChIKey of 5-(4-chloro-6-methylquinolin-3-yl)sulfonyl-2-fluorobenzonitrile?
The InChIKey is PSWXMIBQMLLHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN2O2S/c1-10-2-5-15-13(6-10)17(18)16(9-21-15)24(22,23)12-3-4-14(19)11(7-12)8-20/h2-7,9H,1H3.
What are the key properties of 5-(4-chloro-6-methylquinolin-3-yl)sulfonyl-2-fluorobenzonitrile?
5-(4-chloro-6-methylquinolin-3-yl)sulfonyl-2-fluorobenzonitrile has a molecular weight of 360.80 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-6-methylquinolin-3-yl)sulfonyl-2-fluorobenzonitrile is sourced from PubChem (CID 71823826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).