6-chloro-2-fluoro-3-(propylsulfonylamino)-N-quinolin-3-ylbenzamide

C19H17ClFN3O3S — CID 59418489

IUPAC6-chloro-2-fluoro-3-(propylsulfonylamino)-N-quinolin-3-ylbenzamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3ccccc3c2)c1F
InChIInChI=1S/C19H17ClFN3O3S/c1-2-9-28(26,27)24-16-8-7-14(20)17(18(16)21)19(25)23-13-10-12-5-3-4-6-15(12)22-11-13/h3-8,10-11,24H,2,9H2,1H3,(H,23,25)
InChIKeyRBZANJBJFUKPPG-UHFFFAOYSA-N
MW421.88 g/mol
LogP4.43
Rot. Bonds6

About 6-chloro-2-fluoro-3-(propylsulfonylamino)-N-quinolin-3-ylbenzamide

6-chloro-2-fluoro-3-(propylsulfonylamino)-N-quinolin-3-ylbenzamide (PubChem CID 59418489) has the molecular formula C19H17ClFN3O3S and a molecular weight of 421.88 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-(propylsulfonylamino)-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-(propylsulfonylamino)-N-quinolin-3-ylbenzamide
PubChem CID59418489
Molecular FormulaC19H17ClFN3O3S
Molecular Weight421.88 g/mol
Exact Mass421.07
IUPAC Name6-chloro-2-fluoro-3-(propylsulfonylamino)-N-quinolin-3-ylbenzamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3ccccc3c2)c1F
InChIInChI=1S/C19H17ClFN3O3S/c1-2-9-28(26,27)24-16-8-7-14(20)17(18(16)21)19(25)23-13-10-12-5-3-4-6-15(12)22-11-13/h3-8,10-11,24H,2,9H2,1H3,(H,23,25)
InChIKeyRBZANJBJFUKPPG-UHFFFAOYSA-N
XLogP4.43
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-3-(propylsulfonylamino)-N-quinolin-3-ylbenzamide?
The IUPAC name of 6-chloro-2-fluoro-3-(propylsulfonylamino)-N-quinolin-3-ylbenzamide (CID 59418489) is 6-chloro-2-fluoro-3-(propylsulfonylamino)-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 6-chloro-2-fluoro-3-(propylsulfonylamino)-N-quinolin-3-ylbenzamide?
The canonical SMILES for 6-chloro-2-fluoro-3-(propylsulfonylamino)-N-quinolin-3-ylbenzamide is CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3ccccc3c2)c1F.
What is the InChIKey of 6-chloro-2-fluoro-3-(propylsulfonylamino)-N-quinolin-3-ylbenzamide?
The InChIKey is RBZANJBJFUKPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O3S/c1-2-9-28(26,27)24-16-8-7-14(20)17(18(16)21)19(25)23-13-10-12-5-3-4-6-15(12)22-11-13/h3-8,10-11,24H,2,9H2,1H3,(H,23,25).
What are the key properties of 6-chloro-2-fluoro-3-(propylsulfonylamino)-N-quinolin-3-ylbenzamide?
6-chloro-2-fluoro-3-(propylsulfonylamino)-N-quinolin-3-ylbenzamide has a molecular weight of 421.88 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-3-(propylsulfonylamino)-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 59418489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).