1,1,1-trifluoro-N-[5-[(1-pyridin-2-ylsulfonyl-3a,7a-dihydro-1H-inden-2-yl)sulfonyl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide

C24H21F3N2O6S3 — CID 162569191

IUPAC1,1,1-trifluoro-N-[5-[(1-pyridin-2-ylsulfonyl-3a,7a-dihydro-1H-inden-2-yl)sulfonyl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
SMILESO=S(=O)(C1=CC2C=CC=CC2C1S(=O)(=O)c1ccccn1)c1ccc2c(c1)CCC2NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C24H21F3N2O6S3/c25-24(26,27)38(34,35)29-20-11-8-16-13-17(9-10-18(16)20)36(30,31)21-14-15-5-1-2-6-19(15)23(21)37(32,33)22-7-3-4-12-28-22/h1-7,9-10,12-15,19-20,23,29H,8,11H2
InChIKeyLZTACPPRTWBWBR-UHFFFAOYSA-N
MW586.64 g/mol
LogP3.38
Rot. Bonds6

About 1,1,1-trifluoro-N-[5-[(1-pyridin-2-ylsulfonyl-3a,7a-dihydro-1H-inden-2-yl)sulfonyl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide

1,1,1-trifluoro-N-[5-[(1-pyridin-2-ylsulfonyl-3a,7a-dihydro-1H-inden-2-yl)sulfonyl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide (PubChem CID 162569191) has the molecular formula C24H21F3N2O6S3 and a molecular weight of 586.64 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[5-[(1-pyridin-2-ylsulfonyl-3a,7a-dihydro-1H-inden-2-yl)sulfonyl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[5-[(1-pyridin-2-ylsulfonyl-3a,7a-dihydro-1H-inden-2-yl)sulfonyl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
PubChem CID162569191
Molecular FormulaC24H21F3N2O6S3
Molecular Weight586.64 g/mol
Exact Mass586.05
IUPAC Name1,1,1-trifluoro-N-[5-[(1-pyridin-2-ylsulfonyl-3a,7a-dihydro-1H-inden-2-yl)sulfonyl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
SMILESO=S(=O)(C1=CC2C=CC=CC2C1S(=O)(=O)c1ccccn1)c1ccc2c(c1)CCC2NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C24H21F3N2O6S3/c25-24(26,27)38(34,35)29-20-11-8-16-13-17(9-10-18(16)20)36(30,31)21-14-15-5-1-2-6-19(15)23(21)37(32,33)22-7-3-4-12-28-22/h1-7,9-10,12-15,19-20,23,29H,8,11H2
InChIKeyLZTACPPRTWBWBR-UHFFFAOYSA-N
XLogP3.38
TPSA127.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.64
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,1,1-trifluoro-N-[5-[(1-pyridin-2-ylsulfonyl-3a,7a-dihydro-1H-inden-2-yl)sulfonyl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[5-[(1-pyridin-2-ylsulfonyl-3a,7a-dihydro-1H-inden-2-yl)sulfonyl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[5-[(1-pyridin-2-ylsulfonyl-3a,7a-dihydro-1H-inden-2-yl)sulfonyl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide (CID 162569191) is 1,1,1-trifluoro-N-[5-[(1-pyridin-2-ylsulfonyl-3a,7a-dihydro-1H-inden-2-yl)sulfonyl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[5-[(1-pyridin-2-ylsulfonyl-3a,7a-dihydro-1H-inden-2-yl)sulfonyl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[5-[(1-pyridin-2-ylsulfonyl-3a,7a-dihydro-1H-inden-2-yl)sulfonyl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide is O=S(=O)(C1=CC2C=CC=CC2C1S(=O)(=O)c1ccccn1)c1ccc2c(c1)CCC2NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[5-[(1-pyridin-2-ylsulfonyl-3a,7a-dihydro-1H-inden-2-yl)sulfonyl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide?
The InChIKey is LZTACPPRTWBWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O6S3/c25-24(26,27)38(34,35)29-20-11-8-16-13-17(9-10-18(16)20)36(30,31)21-14-15-5-1-2-6-19(15)23(21)37(32,33)22-7-3-4-12-28-22/h1-7,9-10,12-15,19-20,23,29H,8,11H2.
What are the key properties of 1,1,1-trifluoro-N-[5-[(1-pyridin-2-ylsulfonyl-3a,7a-dihydro-1H-inden-2-yl)sulfonyl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide?
1,1,1-trifluoro-N-[5-[(1-pyridin-2-ylsulfonyl-3a,7a-dihydro-1H-inden-2-yl)sulfonyl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide has a molecular weight of 586.64 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[5-[(1-pyridin-2-ylsulfonyl-3a,7a-dihydro-1H-inden-2-yl)sulfonyl]-2,3-dihydro-1H-inden-1-yl]methanesulfonamide is sourced from PubChem (CID 162569191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).