N-(2,3-dihydro-1H-inden-1-yl)-3,4-difluorobenzenesulfonamide

C15H13F2NO2S — CID 3726343

IUPACN-(2,3-dihydro-1H-inden-1-yl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCc2ccccc21)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2NO2S/c16-13-7-6-11(9-14(13)17)21(19,20)18-15-8-5-10-3-1-2-4-12(10)15/h1-4,6-7,9,15,18H,5,8H2
InChIKeyZHYWUWVNLBKYQE-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.93
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-3,4-difluorobenzenesulfonamide

N-(2,3-dihydro-1H-inden-1-yl)-3,4-difluorobenzenesulfonamide (PubChem CID 3726343) has the molecular formula C15H13F2NO2S and a molecular weight of 309.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-3,4-difluorobenzenesulfonamide
PubChem CID3726343
Molecular FormulaC15H13F2NO2S
Molecular Weight309.34 g/mol
Exact Mass309.06
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NC1CCc2ccccc21)c1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2NO2S/c16-13-7-6-11(9-14(13)17)21(19,20)18-15-8-5-10-3-1-2-4-12(10)15/h1-4,6-7,9,15,18H,5,8H2
InChIKeyZHYWUWVNLBKYQE-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-3,4-difluorobenzenesulfonamide (CID 3726343) is N-(2,3-dihydro-1H-inden-1-yl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-3,4-difluorobenzenesulfonamide is O=S(=O)(NC1CCc2ccccc21)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-3,4-difluorobenzenesulfonamide?
The InChIKey is ZHYWUWVNLBKYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2S/c16-13-7-6-11(9-14(13)17)21(19,20)18-15-8-5-10-3-1-2-4-12(10)15/h1-4,6-7,9,15,18H,5,8H2.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-3,4-difluorobenzenesulfonamide?
N-(2,3-dihydro-1H-inden-1-yl)-3,4-difluorobenzenesulfonamide has a molecular weight of 309.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 3726343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).