2-[5-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-hydroxyacetic acid

C18H18FNO5S — CID 57296954

IUPAC2-[5-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc2c(c1)CCCC2NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H18FNO5S/c19-13-5-7-14(8-6-13)26(24,25)20-16-3-1-2-11-10-12(4-9-15(11)16)17(21)18(22)23/h4-10,16-17,20-21H,1-3H2,(H,22,23)
InChIKeyRGKXSMDVNQAHHZ-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.30
Rot. Bonds5

About 2-[5-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-hydroxyacetic acid

2-[5-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-hydroxyacetic acid (PubChem CID 57296954) has the molecular formula C18H18FNO5S and a molecular weight of 379.41 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-hydroxyacetic acid
PubChem CID57296954
Molecular FormulaC18H18FNO5S
Molecular Weight379.41 g/mol
Exact Mass379.09
IUPAC Name2-[5-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc2c(c1)CCCC2NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H18FNO5S/c19-13-5-7-14(8-6-13)26(24,25)20-16-3-1-2-11-10-12(4-9-15(11)16)17(21)18(22)23/h4-10,16-17,20-21H,1-3H2,(H,22,23)
InChIKeyRGKXSMDVNQAHHZ-UHFFFAOYSA-N
XLogP2.30
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]benzamide
CID 86870489
2-[[5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 19855465
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722353
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 120722372
(3R)-3-(4-fluorophenyl)-N-[(8S)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 59063656
(3S)-3-(4-fluorophenyl)-N-[(8R)-8-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 59063712
4-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 43876005
methyl 3-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoyl)benzoate
CID 133235599
2-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]propanoic acid
CID 116650211
ethyl 3-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-5-fluorobenzoate;hydrochloride
CID 120722135
(2R)-2-[(1S)-1-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
CID 97049477
N-[5-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-2-methylphenyl]acetamide
CID 120722247

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-hydroxyacetic acid?
The IUPAC name of 2-[5-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-hydroxyacetic acid (CID 57296954) is 2-[5-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[5-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-hydroxyacetic acid is O=C(O)C(O)c1ccc2c(c1)CCCC2NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[5-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-hydroxyacetic acid?
The InChIKey is RGKXSMDVNQAHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO5S/c19-13-5-7-14(8-6-13)26(24,25)20-16-3-1-2-11-10-12(4-9-15(11)16)17(21)18(22)23/h4-10,16-17,20-21H,1-3H2,(H,22,23).
What are the key properties of 2-[5-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-hydroxyacetic acid?
2-[5-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-hydroxyacetic acid has a molecular weight of 379.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]-2-hydroxyacetic acid is sourced from PubChem (CID 57296954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).