N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide

C12H14F2N2O4S — CID 107483588

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)N(CCO)CC(F)F)ccc2N1
InChIInChI=1S/C12H14F2N2O4S/c13-11(14)7-16(3-4-17)21(19,20)9-1-2-10-8(5-9)6-12(18)15-10/h1-2,5,11,17H,3-4,6-7H2,(H,15,18)
InChIKeyPOUZMWJFOUXAAC-UHFFFAOYSA-N
MW320.32 g/mol
LogP0.43
Rot. Bonds6

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 107483588) has the molecular formula C12H14F2N2O4S and a molecular weight of 320.32 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID107483588
Molecular FormulaC12H14F2N2O4S
Molecular Weight320.32 g/mol
Exact Mass320.06
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESO=C1Cc2cc(S(=O)(=O)N(CCO)CC(F)F)ccc2N1
InChIInChI=1S/C12H14F2N2O4S/c13-11(14)7-16(3-4-17)21(19,20)9-1-2-10-8(5-9)6-12(18)15-10/h1-2,5,11,17H,3-4,6-7H2,(H,15,18)
InChIKeyPOUZMWJFOUXAAC-UHFFFAOYSA-N
XLogP0.43
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 107483588) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide is O=C1Cc2cc(S(=O)(=O)N(CCO)CC(F)F)ccc2N1.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is POUZMWJFOUXAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O4S/c13-11(14)7-16(3-4-17)21(19,20)9-1-2-10-8(5-9)6-12(18)15-10/h1-2,5,11,17H,3-4,6-7H2,(H,15,18).
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 320.32 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 107483588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).