N-[6-(3-fluorophenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide

C16H16FNO3S — CID 12887096

IUPACN-[6-(3-fluorophenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2c(cc1Oc1cccc(F)c1)CCC2
InChIInChI=1S/C16H16FNO3S/c1-22(19,20)18-15-8-11-4-2-5-12(11)9-16(15)21-14-7-3-6-13(17)10-14/h3,6-10,18H,2,4-5H2,1H3
InChIKeyPHPFQTCEMXGZFJ-UHFFFAOYSA-N
MW321.37 g/mol
LogP3.48
Rot. Bonds4

About N-[6-(3-fluorophenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide

N-[6-(3-fluorophenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide (PubChem CID 12887096) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is N-[6-(3-fluorophenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(3-fluorophenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide
PubChem CID12887096
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC NameN-[6-(3-fluorophenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2c(cc1Oc1cccc(F)c1)CCC2
InChIInChI=1S/C16H16FNO3S/c1-22(19,20)18-15-8-11-4-2-5-12(11)9-16(15)21-14-7-3-6-13(17)10-14/h3,6-10,18H,2,4-5H2,1H3
InChIKeyPHPFQTCEMXGZFJ-UHFFFAOYSA-N
XLogP3.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluorophenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide?
The IUPAC name of N-[6-(3-fluorophenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide (CID 12887096) is N-[6-(3-fluorophenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(3-fluorophenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide?
The canonical SMILES for N-[6-(3-fluorophenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide is CS(=O)(=O)Nc1cc2c(cc1Oc1cccc(F)c1)CCC2.
What is the InChIKey of N-[6-(3-fluorophenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide?
The InChIKey is PHPFQTCEMXGZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c1-22(19,20)18-15-8-11-4-2-5-12(11)9-16(15)21-14-7-3-6-13(17)10-14/h3,6-10,18H,2,4-5H2,1H3.
What are the key properties of N-[6-(3-fluorophenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide?
N-[6-(3-fluorophenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide has a molecular weight of 321.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluorophenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide is sourced from PubChem (CID 12887096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).