5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide

C15H16F2N2O3S — CID 86776822

IUPAC5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CN2CCc3c(F)cc(F)cc32)o1
InChIInChI=1S/C15H16F2N2O3S/c1-18(2)23(20,21)15-4-3-11(22-15)9-19-6-5-12-13(17)7-10(16)8-14(12)19/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyXKIAAHPDXKMRQN-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.37
Rot. Bonds4

About 5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide

5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide (PubChem CID 86776822) has the molecular formula C15H16F2N2O3S and a molecular weight of 342.37 g/mol. Its IUPAC name is 5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide
PubChem CID86776822
Molecular FormulaC15H16F2N2O3S
Molecular Weight342.37 g/mol
Exact Mass342.08
IUPAC Name5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CN2CCc3c(F)cc(F)cc32)o1
InChIInChI=1S/C15H16F2N2O3S/c1-18(2)23(20,21)15-4-3-11(22-15)9-19-6-5-12-13(17)7-10(16)8-14(12)19/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyXKIAAHPDXKMRQN-UHFFFAOYSA-N
XLogP2.37
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide?
The IUPAC name of 5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide (CID 86776822) is 5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide.
What is the SMILES notation for 5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide?
The canonical SMILES for 5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(CN2CCc3c(F)cc(F)cc32)o1.
What is the InChIKey of 5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide?
The InChIKey is XKIAAHPDXKMRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O3S/c1-18(2)23(20,21)15-4-3-11(22-15)9-19-6-5-12-13(17)7-10(16)8-14(12)19/h3-4,7-8H,5-6,9H2,1-2H3.
What are the key properties of 5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide?
5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide has a molecular weight of 342.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide is sourced from PubChem (CID 86776822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).