2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid

C17H16ClNO5S — CID 15078392

IUPAC2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
SMILESO=C(O)COc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C17H16ClNO5S/c18-13-2-5-16(6-3-13)25(22,23)19-14-7-11-1-4-15(9-12(11)8-14)24-10-17(20)21/h1-6,9,14,19H,7-8,10H2,(H,20,21)
InChIKeyJSLSAPXCEKNDGM-UHFFFAOYSA-N
MW381.84 g/mol
LogP2.25
Rot. Bonds6

About 2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid

2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid (PubChem CID 15078392) has the molecular formula C17H16ClNO5S and a molecular weight of 381.84 g/mol. Its IUPAC name is 2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
PubChem CID15078392
Molecular FormulaC17H16ClNO5S
Molecular Weight381.84 g/mol
Exact Mass381.04
IUPAC Name2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid
SMILESO=C(O)COc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C17H16ClNO5S/c18-13-2-5-16(6-3-13)25(22,23)19-14-7-11-1-4-15(9-12(11)8-14)24-10-17(20)21/h1-6,9,14,19H,7-8,10H2,(H,20,21)
InChIKeyJSLSAPXCEKNDGM-UHFFFAOYSA-N
XLogP2.25
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[(4-Chlorophenyl)sulfonylamino]ethyl]-2,6-difluorophenoxy]acetic acid
CID 14620892
2-[4-[2-[(4-Chlorophenyl)sulfonylamino]-2-phenylethyl]phenoxy]acetic acid
CID 14669735
5-[2-[(4-Chlorophenyl)sulfonylamino]ethyl]-1,3-benzodioxole-2-carboxylic acid
CID 14796796
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
methyl 4-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]butanoate
CID 15078405
3-{[2-[(4-Chlorophenyl)sulfonylamino]indan-5-yl]oxyacetylamino}propionic acid
CID 15078407
4-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]butanoic acid
CID 15078409
2-[[1-[[(4-chlorophenyl)sulfonylamino]methyl]-3,4-dihydro-1H-isochromen-6-yl]oxy]acetic acid
CID 44211102
2-[4-[1-[(4-Chlorophenyl)sulfonylamino]propan-2-yl]-2-fluorophenoxy]acetic acid
CID 14579418
2-[4-[2-[(4-Chlorophenyl)sulfonylamino]propyl]-2-fluorophenoxy]acetic acid
CID 14579459

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
The IUPAC name of 2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid (CID 15078392) is 2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
The canonical SMILES for 2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid is O=C(O)COc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C2.
What is the InChIKey of 2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
The InChIKey is JSLSAPXCEKNDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO5S/c18-13-2-5-16(6-3-13)25(22,23)19-14-7-11-1-4-15(9-12(11)8-14)24-10-17(20)21/h1-6,9,14,19H,7-8,10H2,(H,20,21).
What are the key properties of 2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid?
2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid has a molecular weight of 381.84 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetic acid is sourced from PubChem (CID 15078392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).