2-(3,5-dihydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid

C18H19NO6S — CID 167766250

IUPAC2-(3,5-dihydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid
SMILESO=C(O)C(NS(=O)(=O)c1ccc2c(c1)CCCC2)c1cc(O)cc(O)c1
InChIInChI=1S/C18H19NO6S/c20-14-7-13(8-15(21)10-14)17(18(22)23)19-26(24,25)16-6-5-11-3-1-2-4-12(11)9-16/h5-10,17,19-21H,1-4H2,(H,22,23)
InChIKeyPNFAGPOFEKHAOT-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.08
Rot. Bonds5

About 2-(3,5-dihydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid

2-(3,5-dihydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid (PubChem CID 167766250) has the molecular formula C18H19NO6S and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-(3,5-dihydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-(3,5-dihydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid
PubChem CID167766250
Molecular FormulaC18H19NO6S
Molecular Weight377.42 g/mol
Exact Mass377.09
IUPAC Name2-(3,5-dihydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid
SMILESO=C(O)C(NS(=O)(=O)c1ccc2c(c1)CCCC2)c1cc(O)cc(O)c1
InChIInChI=1S/C18H19NO6S/c20-14-7-13(8-15(21)10-14)17(18(22)23)19-26(24,25)16-6-5-11-3-1-2-4-12(11)9-16/h5-10,17,19-21H,1-4H2,(H,22,23)
InChIKeyPNFAGPOFEKHAOT-UHFFFAOYSA-N
XLogP2.08
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dihydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)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

(2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid
CID 79009391
2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid
CID 43631170
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid
CID 104934811
(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)butanedioic acid
CID 112733090
N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 42913053
N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39086781
2-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanoic acid
CID 62676412
N-[(2S)-1-hydroxybutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 104981860
methyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 113257635
N-(1-hydroxy-3-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 79255969
(2S)-N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 8802711
N-(1-methoxypropan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 51170060

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dihydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid?
The IUPAC name of 2-(3,5-dihydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid (CID 167766250) is 2-(3,5-dihydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid.
What is the SMILES notation for 2-(3,5-dihydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid?
The canonical SMILES for 2-(3,5-dihydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid is O=C(O)C(NS(=O)(=O)c1ccc2c(c1)CCCC2)c1cc(O)cc(O)c1.
What is the InChIKey of 2-(3,5-dihydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid?
The InChIKey is PNFAGPOFEKHAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6S/c20-14-7-13(8-15(21)10-14)17(18(22)23)19-26(24,25)16-6-5-11-3-1-2-4-12(11)9-16/h5-10,17,19-21H,1-4H2,(H,22,23).
What are the key properties of 2-(3,5-dihydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid?
2-(3,5-dihydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid has a molecular weight of 377.42 g/mol, XLogP of 2.08, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dihydroxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetic acid is sourced from PubChem (CID 167766250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).