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

C24H20F3NO7S2 — CID 16725046

IUPAC2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
SMILESO=C(O)COc1ccc2c(c1)CC(NS(=O)(=O)c1cc(S(=O)(=O)c3ccccc3)ccc1C(F)(F)F)C2
InChIInChI=1S/C24H20F3NO7S2/c25-24(26,27)21-9-8-20(36(31,32)19-4-2-1-3-5-19)13-22(21)37(33,34)28-17-10-15-6-7-18(12-16(15)11-17)35-14-23(29)30/h1-9,12-13,17,28H,10-11,14H2,(H,29,30)
InChIKeyMPFGAKIYHAXLMB-UHFFFAOYSA-N
MW555.55 g/mol
LogP3.45
Rot. Bonds8

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

2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid (PubChem CID 16725046) has the molecular formula C24H20F3NO7S2 and a molecular weight of 555.55 g/mol. Its IUPAC name is 2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
PubChem CID16725046
Molecular FormulaC24H20F3NO7S2
Molecular Weight555.55 g/mol
Exact Mass555.06
IUPAC Name2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
SMILESO=C(O)COc1ccc2c(c1)CC(NS(=O)(=O)c1cc(S(=O)(=O)c3ccccc3)ccc1C(F)(F)F)C2
InChIInChI=1S/C24H20F3NO7S2/c25-24(26,27)21-9-8-20(36(31,32)19-4-2-1-3-5-19)13-22(21)37(33,34)28-17-10-15-6-7-18(12-16(15)11-17)35-14-23(29)30/h1-9,12-13,17,28H,10-11,14H2,(H,29,30)
InChIKeyMPFGAKIYHAXLMB-UHFFFAOYSA-N
XLogP3.45
TPSA126.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.55
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 15078394
2-[[2-(naphthalen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 15078396
2-[[2-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 15078400
2-[[6-[[4-(Trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 19855454
2-[[6-[[4-(Trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 19855460
2-[[5-[[4-(Trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 19855465
2-[[2-[[2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 25024473
2-[[2-[[4-phenyl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
CID 25025868
methyl 2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 25026861
2-[[2-[[4-bromo-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 25026862
2-[[2-[[4-propan-2-yl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
CID 25026863
N-(5-methoxy-2,3-dihydro-1H-inden-2-yl)-5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonamide
CID 57430764

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]acetic acid?
The IUPAC name of 2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid (CID 16725046) is 2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
The canonical SMILES for 2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid is O=C(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]acetic acid?
The InChIKey is MPFGAKIYHAXLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3NO7S2/c25-24(26,27)21-9-8-20(36(31,32)19-4-2-1-3-5-19)13-22(21)37(33,34)28-17-10-15-6-7-18(12-16(15)11-17)35-14-23(29)30/h1-9,12-13,17,28H,10-11,14H2,(H,29,30).
What are the key properties of 2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
2-[[2-[[5-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid has a molecular weight of 555.55 g/mol, XLogP of 3.45, 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]acetic acid is sourced from PubChem (CID 16725046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).