2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide

C24H21F3N2O6S2 — CID 57430770

IUPAC2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
SMILESNC(=O)COc1ccc2c(c1)CC(NS(=O)(=O)c1cc(S(=O)(=O)c3ccccc3)ccc1C(F)(F)F)C2
InChIInChI=1S/C24H21F3N2O6S2/c25-24(26,27)21-9-8-20(36(31,32)19-4-2-1-3-5-19)13-22(21)37(33,34)29-17-10-15-6-7-18(12-16(15)11-17)35-14-23(28)30/h1-9,12-13,17,29H,10-11,14H2,(H2,28,30)
InChIKeyNRSXWAJBUJBUNL-UHFFFAOYSA-N
MW554.57 g/mol
LogP2.85
Rot. Bonds8

About 2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide

2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide (PubChem CID 57430770) has the molecular formula C24H21F3N2O6S2 and a molecular weight of 554.57 g/mol. Its IUPAC name is 2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
PubChem CID57430770
Molecular FormulaC24H21F3N2O6S2
Molecular Weight554.57 g/mol
Exact Mass554.08
IUPAC Name2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
SMILESNC(=O)COc1ccc2c(c1)CC(NS(=O)(=O)c1cc(S(=O)(=O)c3ccccc3)ccc1C(F)(F)F)C2
InChIInChI=1S/C24H21F3N2O6S2/c25-24(26,27)21-9-8-20(36(31,32)19-4-2-1-3-5-19)13-22(21)37(33,34)29-17-10-15-6-7-18(12-16(15)11-17)35-14-23(28)30/h1-9,12-13,17,29H,10-11,14H2,(H2,28,30)
InChIKeyNRSXWAJBUJBUNL-UHFFFAOYSA-N
XLogP2.85
TPSA132.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.57
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide?
The IUPAC name of 2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide (CID 57430770) is 2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide.
What is the SMILES notation for 2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide?
The canonical SMILES for 2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide is NC(=O)COc1ccc2c(c1)CC(NS(=O)(=O)c1cc(S(=O)(=O)c3ccccc3)ccc1C(F)(F)F)C2.
What is the InChIKey of 2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide?
The InChIKey is NRSXWAJBUJBUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O6S2/c25-24(26,27)21-9-8-20(36(31,32)19-4-2-1-3-5-19)13-22(21)37(33,34)29-17-10-15-6-7-18(12-16(15)11-17)35-14-23(28)30/h1-9,12-13,17,29H,10-11,14H2,(H2,28,30).
What are the key properties of 2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide?
2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide has a molecular weight of 554.57 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide is sourced from PubChem (CID 57430770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).