N-[6-(2-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide

C16H14FNO3S2 — CID 10569949

IUPACN-[6-(2-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2c(cc1Sc1ccccc1F)C(=O)CC2
InChIInChI=1S/C16H14FNO3S2/c1-23(20,21)18-13-8-10-6-7-14(19)11(10)9-16(13)22-15-5-3-2-4-12(15)17/h2-5,8-9,18H,6-7H2,1H3
InChIKeyGKVLYFYIOGZGMP-UHFFFAOYSA-N
MW351.42 g/mol
LogP3.48
Rot. Bonds4

About N-[6-(2-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide

N-[6-(2-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide (PubChem CID 10569949) has the molecular formula C16H14FNO3S2 and a molecular weight of 351.42 g/mol. Its IUPAC name is N-[6-(2-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(2-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
PubChem CID10569949
Molecular FormulaC16H14FNO3S2
Molecular Weight351.42 g/mol
Exact Mass351.04
IUPAC NameN-[6-(2-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2c(cc1Sc1ccccc1F)C(=O)CC2
InChIInChI=1S/C16H14FNO3S2/c1-23(20,21)18-13-8-10-6-7-14(19)11(10)9-16(13)22-15-5-3-2-4-12(15)17/h2-5,8-9,18H,6-7H2,1H3
InChIKeyGKVLYFYIOGZGMP-UHFFFAOYSA-N
XLogP3.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The IUPAC name of N-[6-(2-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide (CID 10569949) is N-[6-(2-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(2-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The canonical SMILES for N-[6-(2-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide is CS(=O)(=O)Nc1cc2c(cc1Sc1ccccc1F)C(=O)CC2.
What is the InChIKey of N-[6-(2-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The InChIKey is GKVLYFYIOGZGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3S2/c1-23(20,21)18-13-8-10-6-7-14(19)11(10)9-16(13)22-15-5-3-2-4-12(15)17/h2-5,8-9,18H,6-7H2,1H3.
What are the key properties of N-[6-(2-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
N-[6-(2-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide has a molecular weight of 351.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide is sourced from PubChem (CID 10569949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).