N-[6-(4-methylsulfanylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide

C17H17NO4S2 — CID 10570709

IUPACN-[6-(4-methylsulfanylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
SMILESCSc1ccc(Oc2cc3c(cc2NS(C)(=O)=O)CCC3=O)cc1
InChIInChI=1S/C17H17NO4S2/c1-23-13-6-4-12(5-7-13)22-17-10-14-11(3-8-16(14)19)9-15(17)18-24(2,20)21/h4-7,9-10,18H,3,8H2,1-2H3
InChIKeyWFXOLKCDEJXUNV-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.70
Rot. Bonds5

About N-[6-(4-methylsulfanylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide

N-[6-(4-methylsulfanylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide (PubChem CID 10570709) has the molecular formula C17H17NO4S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[6-(4-methylsulfanylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(4-methylsulfanylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
PubChem CID10570709
Molecular FormulaC17H17NO4S2
Molecular Weight363.46 g/mol
Exact Mass363.06
IUPAC NameN-[6-(4-methylsulfanylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
SMILESCSc1ccc(Oc2cc3c(cc2NS(C)(=O)=O)CCC3=O)cc1
InChIInChI=1S/C17H17NO4S2/c1-23-13-6-4-12(5-7-13)22-17-10-14-11(3-8-16(14)19)9-15(17)18-24(2,20)21/h4-7,9-10,18H,3,8H2,1-2H3
InChIKeyWFXOLKCDEJXUNV-UHFFFAOYSA-N
XLogP3.70
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Flosulide
CID 71246
N-(6-Cyclohexyloxy-1-oxo-indan-5-yl)-methanesulfonamide
CID 10639657
N-[6-(4-Methoxy-phenylsulfanyl)-1-oxo-indan-5-yl]-methanesulfonamide
CID 10808713
N-(6-Cyclopentyloxy-1-oxo-indan-5-yl)-methanesulfonamide
CID 10662676
N-[6-(4-Methanesulfonyl-phenoxy)-1-oxo-indan-5-yl]-methanesulfonamide
CID 10763244
N-[1-Oxo-6-(tetrahydro-pyran-4-yloxy)-indan-5-yl]-methanesulfonamide
CID 15192150
5-Methylsulfonylamino-6-phenoxy-1-indanone
CID 156335
N-(3-oxo-6-phenoxy-1,2-dihydroinden-5-yl)methanesulfonamide
CID 20296558
N-[2-(2,4-difluorophenoxy)-4-(2-methylsulfanylacetyl)phenyl]methanesulfonamide
CID 9977496
N-[4-acetyl-2-(2,4-difluorophenoxy)-5-methylphenyl]methanesulfonamide
CID 10247601
2'-(2,4-Difluorophenoxy)-4'-(methylsulfonylacetyl)methanesulfonanilide
CID 10432205
5-Amino-6-(4-fluorophenoxy)-2,3-dihydroinden-1-one
CID 12908975

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylsulfanylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The IUPAC name of N-[6-(4-methylsulfanylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide (CID 10570709) is N-[6-(4-methylsulfanylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(4-methylsulfanylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The canonical SMILES for N-[6-(4-methylsulfanylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide is CSc1ccc(Oc2cc3c(cc2NS(C)(=O)=O)CCC3=O)cc1.
What is the InChIKey of N-[6-(4-methylsulfanylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The InChIKey is WFXOLKCDEJXUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S2/c1-23-13-6-4-12(5-7-13)22-17-10-14-11(3-8-16(14)19)9-15(17)18-24(2,20)21/h4-7,9-10,18H,3,8H2,1-2H3.
What are the key properties of N-[6-(4-methylsulfanylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
N-[6-(4-methylsulfanylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide has a molecular weight of 363.46 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylsulfanylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide is sourced from PubChem (CID 10570709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).