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

C17H17NO3S2 — CID 10545620

IUPACN-[6-(2-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
SMILESCc1ccccc1Sc1cc2c(cc1NS(C)(=O)=O)CCC2=O
InChIInChI=1S/C17H17NO3S2/c1-11-5-3-4-6-16(11)22-17-10-13-12(7-8-15(13)19)9-14(17)18-23(2,20)21/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyLZIOBQUCZYZXLW-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.65
Rot. Bonds4

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

N-[6-(2-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide (PubChem CID 10545620) has the molecular formula C17H17NO3S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[6-(2-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(2-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
PubChem CID10545620
Molecular FormulaC17H17NO3S2
Molecular Weight347.46 g/mol
Exact Mass347.06
IUPAC NameN-[6-(2-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
SMILESCc1ccccc1Sc1cc2c(cc1NS(C)(=O)=O)CCC2=O
InChIInChI=1S/C17H17NO3S2/c1-11-5-3-4-6-16(11)22-17-10-13-12(7-8-15(13)19)9-14(17)18-23(2,20)21/h3-6,9-10,18H,7-8H2,1-2H3
InChIKeyLZIOBQUCZYZXLW-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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Related Compounds

L 745337
CID 9799453
N-[1-Oxo-6-(thiophen-2-ylsulfanyl)-indan-5-yl]-methanesulfonamide
CID 9918019
N-[6-(2,4-Dichloro-phenylsulfanyl)-1-oxo-indan-5-yl]-methanesulfonamide
CID 10272435
N-[6-(2-Fluoro-phenylsulfanyl)-1-oxo-indan-5-yl]-methanesulfonamide
CID 10569949
N-[6-(4-Ethyl-phenylsulfanyl)-1-oxo-indan-5-yl]-methanesulfonamide
CID 10594762
N-[6-(4-Fluoro-phenylsulfanyl)-1-oxo-indan-5-yl]-methanesulfonamide
CID 10689279
N-[6-(2,4-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]-1,1,1-trifluoromethanesulfonamide
CID 10693561
N-[6-(2,6-Difluoro-phenylsulfanyl)-1-oxo-indan-5-yl]-methanesulfonamide
CID 10714139
N-(1-Oxo-6-p-tolylsulfanyl-indan-5-yl)-methanesulfonamide
CID 10783872
N-(6-Cyclohexylsulfanyl-1-oxo-indan-5-yl)-methanesulfonamide
CID 10807025
N-[6-(4-Bromo-phenylsulfanyl)-1-oxo-indan-5-yl]-methanesulfonamide
CID 10811597
N-[6-(2,3-Difluoro-phenylsulfanyl)-1-oxo-indan-5-yl]-methanesulfonamide
CID 44387158

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The IUPAC name of N-[6-(2-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide (CID 10545620) is N-[6-(2-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(2-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The canonical SMILES for N-[6-(2-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide is Cc1ccccc1Sc1cc2c(cc1NS(C)(=O)=O)CCC2=O.
What is the InChIKey of N-[6-(2-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The InChIKey is LZIOBQUCZYZXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S2/c1-11-5-3-4-6-16(11)22-17-10-13-12(7-8-15(13)19)9-14(17)18-23(2,20)21/h3-6,9-10,18H,7-8H2,1-2H3.
What are the key properties of N-[6-(2-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
N-[6-(2-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-(2-methylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide is sourced from PubChem (CID 10545620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).