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

C16H15F2NO3S — CID 71782180

IUPAC2,6-difluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCc2ccccc21)c1c(F)cccc1F
InChIInChI=1S/C16H15F2NO3S/c17-13-6-3-7-14(18)15(13)23(21,22)19-10-16(20)9-8-11-4-1-2-5-12(11)16/h1-7,19-20H,8-10H2
InChIKeyODLQIHQRVCDEHT-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.08
Rot. Bonds4

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

2,6-difluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzenesulfonamide (PubChem CID 71782180) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is 2,6-difluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzenesulfonamide
PubChem CID71782180
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC Name2,6-difluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCc2ccccc21)c1c(F)cccc1F
InChIInChI=1S/C16H15F2NO3S/c17-13-6-3-7-14(18)15(13)23(21,22)19-10-16(20)9-8-11-4-1-2-5-12(11)16/h1-7,19-20H,8-10H2
InChIKeyODLQIHQRVCDEHT-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzenesulfonamide
CID 95983148
2,6-difluoro-N-[(2-hydroxy-1,3-dihydroinden-2-yl)methyl]benzenesulfonamide
CID 91631214
1-(2,6-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 90499229
3-acetyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzenesulfonamide
CID 90499105
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzenesulfonamide
CID 90499095
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-propylbenzenesulfonamide
CID 90499106
1-(2-chlorophenyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]methanesulfonamide
CID 95983164
1-(2,3-difluorophenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 75387625
methyl 4-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methylsulfamoyl]benzoate
CID 95986142
2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848108
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2,5-dimethoxybenzenesulfonamide
CID 71782189
3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 95983082

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzenesulfonamide (CID 71782180) is 2,6-difluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzenesulfonamide is O=S(=O)(NCC1(O)CCc2ccccc21)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzenesulfonamide?
The InChIKey is ODLQIHQRVCDEHT-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)9-8-11-4-1-2-5-12(11)16/h1-7,19-20H,8-10H2.
What are the key properties of 2,6-difluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzenesulfonamide?
2,6-difluoro-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzenesulfonamide has a molecular weight of 339.36 g/mol, XLogP of 2.08, 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-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71782180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).