4-[(6-fluoroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide

C18H16FN3O2S — CID 39850795

IUPAC4-[(6-fluoroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(Nc2ccnc3ccc(F)cc23)cc1
InChIInChI=1S/C18H16FN3O2S/c1-2-10-21-25(23,24)15-6-4-14(5-7-15)22-18-9-11-20-17-8-3-13(19)12-16(17)18/h2-9,11-12,21H,1,10H2,(H,20,22)
InChIKeyGJVVODZIMNKSCB-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.58
Rot. Bonds6

About 4-[(6-fluoroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide

4-[(6-fluoroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide (PubChem CID 39850795) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[(6-fluoroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(6-fluoroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide
PubChem CID39850795
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name4-[(6-fluoroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(Nc2ccnc3ccc(F)cc23)cc1
InChIInChI=1S/C18H16FN3O2S/c1-2-10-21-25(23,24)15-6-4-14(5-7-15)22-18-9-11-20-17-8-3-13(19)12-16(17)18/h2-9,11-12,21H,1,10H2,(H,20,22)
InChIKeyGJVVODZIMNKSCB-UHFFFAOYSA-N
XLogP3.58
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-[(6-fluoroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide (CID 39850795) is 4-[(6-fluoroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-[(6-fluoroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-[(6-fluoroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1ccc(Nc2ccnc3ccc(F)cc23)cc1.
What is the InChIKey of 4-[(6-fluoroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide?
The InChIKey is GJVVODZIMNKSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-2-10-21-25(23,24)15-6-4-14(5-7-15)22-18-9-11-20-17-8-3-13(19)12-16(17)18/h2-9,11-12,21H,1,10H2,(H,20,22).
What are the key properties of 4-[(6-fluoroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide?
4-[(6-fluoroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide has a molecular weight of 357.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 39850795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).