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

C19H21NO3S2 — CID 10499717

IUPACN-[1-oxo-6-(4-propan-2-ylphenyl)sulfanyl-2,3-dihydroinden-5-yl]methanesulfonamide
SMILESCC(C)c1ccc(Sc2cc3c(cc2NS(C)(=O)=O)CCC3=O)cc1
InChIInChI=1S/C19H21NO3S2/c1-12(2)13-4-7-15(8-5-13)24-19-11-16-14(6-9-18(16)21)10-17(19)20-25(3,22)23/h4-5,7-8,10-12,20H,6,9H2,1-3H3
InChIKeyHNCXIINJFVYAGP-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.46
Rot. Bonds5

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

N-[1-oxo-6-(4-propan-2-ylphenyl)sulfanyl-2,3-dihydroinden-5-yl]methanesulfonamide (PubChem CID 10499717) has the molecular formula C19H21NO3S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[1-oxo-6-(4-propan-2-ylphenyl)sulfanyl-2,3-dihydroinden-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-oxo-6-(4-propan-2-ylphenyl)sulfanyl-2,3-dihydroinden-5-yl]methanesulfonamide
PubChem CID10499717
Molecular FormulaC19H21NO3S2
Molecular Weight375.52 g/mol
Exact Mass375.10
IUPAC NameN-[1-oxo-6-(4-propan-2-ylphenyl)sulfanyl-2,3-dihydroinden-5-yl]methanesulfonamide
SMILESCC(C)c1ccc(Sc2cc3c(cc2NS(C)(=O)=O)CCC3=O)cc1
InChIInChI=1S/C19H21NO3S2/c1-12(2)13-4-7-15(8-5-13)24-19-11-16-14(6-9-18(16)21)10-17(19)20-25(3,22)23/h4-5,7-8,10-12,20H,6,9H2,1-3H3
InChIKeyHNCXIINJFVYAGP-UHFFFAOYSA-N
XLogP4.46
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-6-(4-propan-2-ylphenyl)sulfanyl-2,3-dihydroinden-5-yl]methanesulfonamide?
The IUPAC name of N-[1-oxo-6-(4-propan-2-ylphenyl)sulfanyl-2,3-dihydroinden-5-yl]methanesulfonamide (CID 10499717) is N-[1-oxo-6-(4-propan-2-ylphenyl)sulfanyl-2,3-dihydroinden-5-yl]methanesulfonamide.
What is the SMILES notation for N-[1-oxo-6-(4-propan-2-ylphenyl)sulfanyl-2,3-dihydroinden-5-yl]methanesulfonamide?
The canonical SMILES for N-[1-oxo-6-(4-propan-2-ylphenyl)sulfanyl-2,3-dihydroinden-5-yl]methanesulfonamide is CC(C)c1ccc(Sc2cc3c(cc2NS(C)(=O)=O)CCC3=O)cc1.
What is the InChIKey of N-[1-oxo-6-(4-propan-2-ylphenyl)sulfanyl-2,3-dihydroinden-5-yl]methanesulfonamide?
The InChIKey is HNCXIINJFVYAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S2/c1-12(2)13-4-7-15(8-5-13)24-19-11-16-14(6-9-18(16)21)10-17(19)20-25(3,22)23/h4-5,7-8,10-12,20H,6,9H2,1-3H3.
What are the key properties of N-[1-oxo-6-(4-propan-2-ylphenyl)sulfanyl-2,3-dihydroinden-5-yl]methanesulfonamide?
N-[1-oxo-6-(4-propan-2-ylphenyl)sulfanyl-2,3-dihydroinden-5-yl]methanesulfonamide has a molecular weight of 375.52 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-6-(4-propan-2-ylphenyl)sulfanyl-2,3-dihydroinden-5-yl]methanesulfonamide is sourced from PubChem (CID 10499717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).