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

C17H17NO3S2 — CID 10783872

IUPACN-[6-(4-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
SMILESCc1ccc(Sc2cc3c(cc2NS(C)(=O)=O)CCC3=O)cc1
InChIInChI=1S/C17H17NO3S2/c1-11-3-6-13(7-4-11)22-17-10-14-12(5-8-16(14)19)9-15(17)18-23(2,20)21/h3-4,6-7,9-10,18H,5,8H2,1-2H3
InChIKeyAVVPCNMYPYKBKY-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.65
Rot. Bonds4

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

N-[6-(4-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide (PubChem CID 10783872) has the molecular formula C17H17NO3S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[6-(4-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(4-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
PubChem CID10783872
Molecular FormulaC17H17NO3S2
Molecular Weight347.46 g/mol
Exact Mass347.06
IUPAC NameN-[6-(4-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
SMILESCc1ccc(Sc2cc3c(cc2NS(C)(=O)=O)CCC3=O)cc1
InChIInChI=1S/C17H17NO3S2/c1-11-3-6-13(7-4-11)22-17-10-14-12(5-8-16(14)19)9-15(17)18-23(2,20)21/h3-4,6-7,9-10,18H,5,8H2,1-2H3
InChIKeyAVVPCNMYPYKBKY-UHFFFAOYSA-N
XLogP3.65
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The IUPAC name of N-[6-(4-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide (CID 10783872) is N-[6-(4-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(4-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The canonical SMILES for N-[6-(4-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide is Cc1ccc(Sc2cc3c(cc2NS(C)(=O)=O)CCC3=O)cc1.
What is the InChIKey of N-[6-(4-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The InChIKey is AVVPCNMYPYKBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S2/c1-11-3-6-13(7-4-11)22-17-10-14-12(5-8-16(14)19)9-15(17)18-23(2,20)21/h3-4,6-7,9-10,18H,5,8H2,1-2H3.
What are the key properties of N-[6-(4-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
N-[6-(4-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide has a molecular weight of 347.46 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide is sourced from PubChem (CID 10783872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).