N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]quinoline-3-carboxamide

C19H17F2N3O3S — CID 42646477

IUPACN-[2,6-difluoro-3-(propylsulfonylamino)phenyl]quinoline-3-carboxamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(NC(=O)c2cnc3ccccc3c2)c1F
InChIInChI=1S/C19H17F2N3O3S/c1-2-9-28(26,27)24-16-8-7-14(20)18(17(16)21)23-19(25)13-10-12-5-3-4-6-15(12)22-11-13/h3-8,10-11,24H,2,9H2,1H3,(H,23,25)
InChIKeyRYMRCCDVRKNRTR-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.92
Rot. Bonds6

About N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]quinoline-3-carboxamide

N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]quinoline-3-carboxamide (PubChem CID 42646477) has the molecular formula C19H17F2N3O3S and a molecular weight of 405.43 g/mol. Its IUPAC name is N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2,6-difluoro-3-(propylsulfonylamino)phenyl]quinoline-3-carboxamide
PubChem CID42646477
Molecular FormulaC19H17F2N3O3S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC NameN-[2,6-difluoro-3-(propylsulfonylamino)phenyl]quinoline-3-carboxamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(NC(=O)c2cnc3ccccc3c2)c1F
InChIInChI=1S/C19H17F2N3O3S/c1-2-9-28(26,27)24-16-8-7-14(20)18(17(16)21)23-19(25)13-10-12-5-3-4-6-15(12)22-11-13/h3-8,10-11,24H,2,9H2,1H3,(H,23,25)
InChIKeyRYMRCCDVRKNRTR-UHFFFAOYSA-N
XLogP3.92
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]quinoline-3-carboxamide?
The IUPAC name of N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]quinoline-3-carboxamide (CID 42646477) is N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]quinoline-3-carboxamide?
The canonical SMILES for N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]quinoline-3-carboxamide is CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)c2cnc3ccccc3c2)c1F.
What is the InChIKey of N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]quinoline-3-carboxamide?
The InChIKey is RYMRCCDVRKNRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3S/c1-2-9-28(26,27)24-16-8-7-14(20)18(17(16)21)23-19(25)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 N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]quinoline-3-carboxamide?
N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]quinoline-3-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-difluoro-3-(propylsulfonylamino)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 42646477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).