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

C17H16FNO4S — CID 14071542

IUPAC2-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C17H16FNO4S/c18-14-3-5-16(6-4-14)24(22,23)19-15-9-12-2-1-11(8-17(20)21)7-13(12)10-15/h1-7,15,19H,8-10H2,(H,20,21)
InChIKeyVENGPZODUGUOKL-UHFFFAOYSA-N
MW349.38 g/mol
LogP1.90
Rot. Bonds5

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

2-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid (PubChem CID 14071542) has the molecular formula C17H16FNO4S and a molecular weight of 349.38 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid
PubChem CID14071542
Molecular FormulaC17H16FNO4S
Molecular Weight349.38 g/mol
Exact Mass349.08
IUPAC Name2-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid
SMILESO=C(O)Cc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C17H16FNO4S/c18-14-3-5-16(6-4-14)24(22,23)19-15-9-12-2-1-11(8-17(20)21)7-13(12)10-15/h1-7,15,19H,8-10H2,(H,20,21)
InChIKeyVENGPZODUGUOKL-UHFFFAOYSA-N
XLogP1.90
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetyl]amino]propanoic acid
CID 14883964
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)acetamide
CID 47058155
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
methyl 4-[[2-[2-[[4-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetyl]amino]butanoate
CID 14883948
4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid
CID 3087365
4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17496581
sodium;2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetic acid;hydride
CID 173388664
2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid
CID 114543628
sodium 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 23685647
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 55846765
sodium 4-[[2-[6-[(4-chlorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetyl]amino]butanoate
CID 67937538
N-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]propanamide
CID 44588347

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid?
The IUPAC name of 2-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid (CID 14071542) is 2-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid is O=C(O)Cc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(F)cc1)C2.
What is the InChIKey of 2-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid?
The InChIKey is VENGPZODUGUOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4S/c18-14-3-5-16(6-4-14)24(22,23)19-15-9-12-2-1-11(8-17(20)21)7-13(12)10-15/h1-7,15,19H,8-10H2,(H,20,21).
What are the key properties of 2-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid?
2-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid has a molecular weight of 349.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid is sourced from PubChem (CID 14071542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).