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

C18H19NO3S2 — CID 10594762

IUPACN-[6-(4-ethylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
SMILESCCc1ccc(Sc2cc3c(cc2NS(C)(=O)=O)CCC3=O)cc1
InChIInChI=1S/C18H19NO3S2/c1-3-12-4-7-14(8-5-12)23-18-11-15-13(6-9-17(15)20)10-16(18)19-24(2,21)22/h4-5,7-8,10-11,19H,3,6,9H2,1-2H3
InChIKeyKROTWTCKGRAKRI-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.90
Rot. Bonds5

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

N-[6-(4-ethylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide (PubChem CID 10594762) has the molecular formula C18H19NO3S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[6-(4-ethylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(4-ethylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
PubChem CID10594762
Molecular FormulaC18H19NO3S2
Molecular Weight361.49 g/mol
Exact Mass361.08
IUPAC NameN-[6-(4-ethylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
SMILESCCc1ccc(Sc2cc3c(cc2NS(C)(=O)=O)CCC3=O)cc1
InChIInChI=1S/C18H19NO3S2/c1-3-12-4-7-14(8-5-12)23-18-11-15-13(6-9-17(15)20)10-16(18)19-24(2,21)22/h4-5,7-8,10-11,19H,3,6,9H2,1-2H3
InChIKeyKROTWTCKGRAKRI-UHFFFAOYSA-N
XLogP3.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-ethylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The IUPAC name of N-[6-(4-ethylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide (CID 10594762) is N-[6-(4-ethylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide.
What is the SMILES notation for N-[6-(4-ethylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The canonical SMILES for N-[6-(4-ethylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide is CCc1ccc(Sc2cc3c(cc2NS(C)(=O)=O)CCC3=O)cc1.
What is the InChIKey of N-[6-(4-ethylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
The InChIKey is KROTWTCKGRAKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S2/c1-3-12-4-7-14(8-5-12)23-18-11-15-13(6-9-17(15)20)10-16(18)19-24(2,21)22/h4-5,7-8,10-11,19H,3,6,9H2,1-2H3.
What are the key properties of N-[6-(4-ethylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide?
N-[6-(4-ethylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide has a molecular weight of 361.49 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-ethylphenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide is sourced from PubChem (CID 10594762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).