2-[[5-(benzenesulfonamidomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid

C19H21NO5S — CID 19837465

IUPAC2-[[5-(benzenesulfonamidomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
SMILESO=C(O)COc1ccc2c(c1)CCCC2CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H21NO5S/c21-19(22)13-25-16-9-10-18-14(11-16)5-4-6-15(18)12-20-26(23,24)17-7-2-1-3-8-17/h1-3,7-11,15,20H,4-6,12-13H2,(H,21,22)
InChIKeyVINSQGFBYNVYIK-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.55
Rot. Bonds7

About 2-[[5-(benzenesulfonamidomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid

2-[[5-(benzenesulfonamidomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid (PubChem CID 19837465) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-[[5-(benzenesulfonamidomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[5-(benzenesulfonamidomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
PubChem CID19837465
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name2-[[5-(benzenesulfonamidomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
SMILESO=C(O)COc1ccc2c(c1)CCCC2CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H21NO5S/c21-19(22)13-25-16-9-10-18-14(11-16)5-4-6-15(18)12-20-26(23,24)17-7-2-1-3-8-17/h1-3,7-11,15,20H,4-6,12-13H2,(H,21,22)
InChIKeyVINSQGFBYNVYIK-UHFFFAOYSA-N
XLogP2.55
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[5-(benzenesulfonamidomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid with MolForge

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Related Compounds

2-[[4-(benzenesulfonamidomethyl)-2,2-dimethyl-3,4-dihydrochromen-7-yl]oxy]acetic acid
CID 19840576
2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid
CID 43275314
N-[4-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfamoyl)phenyl]acetamide
CID 42949923
2-[[5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 19855465
N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]benzenesulfonamide
CID 110636042
2-[[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide
CID 14181183
2-[[2,2-dimethyl-4-[[(4-methylphenyl)sulfonylamino]methyl]-3,4-dihydrochromen-7-yl]oxy]acetic acid
CID 15616983
2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid
CID 23470953
2-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]-2,2-dimethyl-3,4-dihydrochromen-7-yl]oxy]acetic acid
CID 15616982
3-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 77104943
2-[[6-(benzylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]oxy]acetic acid
CID 18007434
3-[(6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 90253472

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(benzenesulfonamidomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid?
The IUPAC name of 2-[[5-(benzenesulfonamidomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid (CID 19837465) is 2-[[5-(benzenesulfonamidomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[5-(benzenesulfonamidomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid?
The canonical SMILES for 2-[[5-(benzenesulfonamidomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid is O=C(O)COc1ccc2c(c1)CCCC2CNS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[5-(benzenesulfonamidomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid?
The InChIKey is VINSQGFBYNVYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c21-19(22)13-25-16-9-10-18-14(11-16)5-4-6-15(18)12-20-26(23,24)17-7-2-1-3-8-17/h1-3,7-11,15,20H,4-6,12-13H2,(H,21,22).
What are the key properties of 2-[[5-(benzenesulfonamidomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid?
2-[[5-(benzenesulfonamidomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid has a molecular weight of 375.45 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(benzenesulfonamidomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid is sourced from PubChem (CID 19837465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).