2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-phenylpropanoic acid

C18H19NO4S — CID 167838567

IUPAC2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)NS(=O)(=O)C1Cc2ccccc2C1
InChIInChI=1S/C18H19NO4S/c20-18(21)17(10-13-6-2-1-3-7-13)19-24(22,23)16-11-14-8-4-5-9-15(14)12-16/h1-9,16-17,19H,10-12H2,(H,20,21)
InChIKeyBLMLNXQTPWLGAI-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.77
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-phenylpropanoic acid

2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-phenylpropanoic acid (PubChem CID 167838567) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-phenylpropanoic acid
PubChem CID167838567
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)NS(=O)(=O)C1Cc2ccccc2C1
InChIInChI=1S/C18H19NO4S/c20-18(21)17(10-13-6-2-1-3-7-13)19-24(22,23)16-11-14-8-4-5-9-15(14)12-16/h1-9,16-17,19H,10-12H2,(H,20,21)
InChIKeyBLMLNXQTPWLGAI-UHFFFAOYSA-N
XLogP1.77
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid
CID 104901982
(2S)-2-(oxan-4-ylsulfonylamino)-3-phenylpropanoic acid
CID 62048619
2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-(oxolan-3-yl)propanoic acid
CID 167762700
2-(1-hydroxyethylsulfonylamino)-3-phenylpropanoic acid
CID 176961767
3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid
CID 85300232
(2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid
CID 122069411
2-[(4-methylpiperazin-1-yl)sulfonylamino]-3-phenylpropanoic acid
CID 70057612
2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)acetic acid
CID 22441688
2-(methylsulfonylmethylsulfonylamino)-3-phenylpropanoic acid
CID 82840375
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
(2S)-2-[(2-methoxycarbonylcyclopentyl)sulfonylamino]-3-phenylpropanoic acid
CID 122069343
(2R)-3-phenyl-2-(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)propanoic acid
CID 14557388

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-phenylpropanoic acid?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-phenylpropanoic acid (CID 167838567) is 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-phenylpropanoic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-phenylpropanoic acid is O=C(O)C(Cc1ccccc1)NS(=O)(=O)C1Cc2ccccc2C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-phenylpropanoic acid?
The InChIKey is BLMLNXQTPWLGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c20-18(21)17(10-13-6-2-1-3-7-13)19-24(22,23)16-11-14-8-4-5-9-15(14)12-16/h1-9,16-17,19H,10-12H2,(H,20,21).
What are the key properties of 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-phenylpropanoic acid?
2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-phenylpropanoic acid has a molecular weight of 345.42 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 167838567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).