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

C17H17NO6S2 — CID 10763244

IUPACN-[6-(4-methylsulfonylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2c(cc1Oc1ccc(S(C)(=O)=O)cc1)C(=O)CC2
InChIInChI=1S/C17H17NO6S2/c1-25(20,21)13-6-4-12(5-7-13)24-17-10-14-11(3-8-16(14)19)9-15(17)18-26(2,22)23/h4-7,9-10,18H,3,8H2,1-2H3
InChIKeyHGISIIZYLGEQSK-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.38
Rot. Bonds5

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

N-[6-(4-methylsulfonylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide (PubChem CID 10763244) has the molecular formula C17H17NO6S2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[6-(4-methylsulfonylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(4-methylsulfonylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
PubChem CID10763244
Molecular FormulaC17H17NO6S2
Molecular Weight395.46 g/mol
Exact Mass395.05
IUPAC NameN-[6-(4-methylsulfonylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2c(cc1Oc1ccc(S(C)(=O)=O)cc1)C(=O)CC2
InChIInChI=1S/C17H17NO6S2/c1-25(20,21)13-6-4-12(5-7-13)24-17-10-14-11(3-8-16(14)19)9-15(17)18-26(2,22)23/h4-7,9-10,18H,3,8H2,1-2H3
InChIKeyHGISIIZYLGEQSK-UHFFFAOYSA-N
XLogP2.38
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Flosulide
CID 71246
N-[6-(4-Methylsulfanyl-phenoxy)-1-oxo-indan-5-yl]-methanesulfonamide
CID 10570709
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-[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
6-(2,4-Difluorophenoxy)-5-bis(methylsulfonyl)amino-1-indanone
CID 13084200

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylsulfonylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The IUPAC name of N-[6-(4-methylsulfonylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide (CID 10763244) is N-[6-(4-methylsulfonylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(4-methylsulfonylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The canonical SMILES for N-[6-(4-methylsulfonylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide is CS(=O)(=O)Nc1cc2c(cc1Oc1ccc(S(C)(=O)=O)cc1)C(=O)CC2.
What is the InChIKey of N-[6-(4-methylsulfonylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The InChIKey is HGISIIZYLGEQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO6S2/c1-25(20,21)13-6-4-12(5-7-13)24-17-10-14-11(3-8-16(14)19)9-15(17)18-26(2,22)23/h4-7,9-10,18H,3,8H2,1-2H3.
What are the key properties of N-[6-(4-methylsulfonylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
N-[6-(4-methylsulfonylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide has a molecular weight of 395.46 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylsulfonylphenoxy)-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide is sourced from PubChem (CID 10763244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).