2,6-difluoro-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]benzenesulfonamide

C16H15F2NO3S — CID 91631214

IUPAC2,6-difluoro-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)Cc2ccccc2C1)c1c(F)cccc1F
InChIInChI=1S/C16H15F2NO3S/c17-13-6-3-7-14(18)15(13)23(21,22)19-10-16(20)8-11-4-1-2-5-12(11)9-16/h1-7,19-20H,8-10H2
InChIKeyARXGYGWFIDRVTD-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.77
Rot. Bonds4

About 2,6-difluoro-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]benzenesulfonamide

2,6-difluoro-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]benzenesulfonamide (PubChem CID 91631214) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is 2,6-difluoro-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]benzenesulfonamide
PubChem CID91631214
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC Name2,6-difluoro-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)Cc2ccccc2C1)c1c(F)cccc1F
InChIInChI=1S/C16H15F2NO3S/c17-13-6-3-7-14(18)15(13)23(21,22)19-10-16(20)8-11-4-1-2-5-12(11)9-16/h1-7,19-20H,8-10H2
InChIKeyARXGYGWFIDRVTD-UHFFFAOYSA-N
XLogP1.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]benzenesulfonamide (CID 91631214) is 2,6-difluoro-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]benzenesulfonamide is O=S(=O)(NCC1(O)Cc2ccccc2C1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]benzenesulfonamide?
The InChIKey is ARXGYGWFIDRVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c17-13-6-3-7-14(18)15(13)23(21,22)19-10-16(20)8-11-4-1-2-5-12(11)9-16/h1-7,19-20H,8-10H2.
What are the key properties of 2,6-difluoro-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]benzenesulfonamide?
2,6-difluoro-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]benzenesulfonamide has a molecular weight of 339.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 91631214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).