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

C17H19NO3S — CID 57195670

IUPACN-[6-(3-methylphenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide
SMILESCc1cccc(Oc2cc3c(cc2NS(C)(=O)=O)CCC3)c1
InChIInChI=1S/C17H19NO3S/c1-12-5-3-8-15(9-12)21-17-11-14-7-4-6-13(14)10-16(17)18-22(2,19)20/h3,5,8-11,18H,4,6-7H2,1-2H3
InChIKeyGBKFPLIJRBZUFM-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.65
Rot. Bonds4

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

N-[6-(3-methylphenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide (PubChem CID 57195670) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[6-(3-methylphenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(3-methylphenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide
PubChem CID57195670
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-[6-(3-methylphenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide
SMILESCc1cccc(Oc2cc3c(cc2NS(C)(=O)=O)CCC3)c1
InChIInChI=1S/C17H19NO3S/c1-12-5-3-8-15(9-12)21-17-11-14-7-4-6-13(14)10-16(17)18-22(2,19)20/h3,5,8-11,18H,4,6-7H2,1-2H3
InChIKeyGBKFPLIJRBZUFM-UHFFFAOYSA-N
XLogP3.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methylphenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide?
The IUPAC name of N-[6-(3-methylphenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide (CID 57195670) is N-[6-(3-methylphenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(3-methylphenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide?
The canonical SMILES for N-[6-(3-methylphenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide is Cc1cccc(Oc2cc3c(cc2NS(C)(=O)=O)CCC3)c1.
What is the InChIKey of N-[6-(3-methylphenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide?
The InChIKey is GBKFPLIJRBZUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-12-5-3-8-15(9-12)21-17-11-14-7-4-6-13(14)10-16(17)18-22(2,19)20/h3,5,8-11,18H,4,6-7H2,1-2H3.
What are the key properties of N-[6-(3-methylphenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide?
N-[6-(3-methylphenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methylphenoxy)-2,3-dihydro-1H-inden-5-yl]methanesulfonamide is sourced from PubChem (CID 57195670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).