N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide

C12H14F2N2O4S — CID 106170259

IUPACN-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)NCC(F)(F)CO)ccc21
InChIInChI=1S/C12H14F2N2O4S/c1-16-10-3-2-9(4-8(10)5-11(16)18)21(19,20)15-6-12(13,14)7-17/h2-4,15,17H,5-7H2,1H3
InChIKeyAJEJRGFIVVWCQJ-UHFFFAOYSA-N
MW320.32 g/mol
LogP0.11
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide

N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide (PubChem CID 106170259) has the molecular formula C12H14F2N2O4S and a molecular weight of 320.32 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
PubChem CID106170259
Molecular FormulaC12H14F2N2O4S
Molecular Weight320.32 g/mol
Exact Mass320.06
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCN1C(=O)Cc2cc(S(=O)(=O)NCC(F)(F)CO)ccc21
InChIInChI=1S/C12H14F2N2O4S/c1-16-10-3-2-9(4-8(10)5-11(16)18)21(19,20)15-6-12(13,14)7-17/h2-4,15,17H,5-7H2,1H3
InChIKeyAJEJRGFIVVWCQJ-UHFFFAOYSA-N
XLogP0.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide (CID 106170259) is N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide is CN1C(=O)Cc2cc(S(=O)(=O)NCC(F)(F)CO)ccc21.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is AJEJRGFIVVWCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O4S/c1-16-10-3-2-9(4-8(10)5-11(16)18)21(19,20)15-6-12(13,14)7-17/h2-4,15,17H,5-7H2,1H3.
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide?
N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 320.32 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 106170259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).