2-[5-(benzenesulfonamidomethyl)cyclopenta[c]pyran-1-yl]oxyacetic acid

C17H15NO6S — CID 57109163

IUPAC2-[5-(benzenesulfonamidomethyl)cyclopenta[c]pyran-1-yl]oxyacetic acid
SMILESO=C(O)COc1occc2c(CNS(=O)(=O)c3ccccc3)ccc1-2
InChIInChI=1S/C17H15NO6S/c19-16(20)11-24-17-15-7-6-12(14(15)8-9-23-17)10-18-25(21,22)13-4-2-1-3-5-13/h1-9,18H,10-11H2,(H,19,20)
InChIKeyHMHOCCLBMMEDLC-UHFFFAOYSA-N
MW361.38 g/mol
LogP2.33
Rot. Bonds7

About 2-[5-(benzenesulfonamidomethyl)cyclopenta[c]pyran-1-yl]oxyacetic acid

2-[5-(benzenesulfonamidomethyl)cyclopenta[c]pyran-1-yl]oxyacetic acid (PubChem CID 57109163) has the molecular formula C17H15NO6S and a molecular weight of 361.38 g/mol. Its IUPAC name is 2-[5-(benzenesulfonamidomethyl)cyclopenta[c]pyran-1-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[5-(benzenesulfonamidomethyl)cyclopenta[c]pyran-1-yl]oxyacetic acid
PubChem CID57109163
Molecular FormulaC17H15NO6S
Molecular Weight361.38 g/mol
Exact Mass361.06
IUPAC Name2-[5-(benzenesulfonamidomethyl)cyclopenta[c]pyran-1-yl]oxyacetic acid
SMILESO=C(O)COc1occc2c(CNS(=O)(=O)c3ccccc3)ccc1-2
InChIInChI=1S/C17H15NO6S/c19-16(20)11-24-17-15-7-6-12(14(15)8-9-23-17)10-18-25(21,22)13-4-2-1-3-5-13/h1-9,18H,10-11H2,(H,19,20)
InChIKeyHMHOCCLBMMEDLC-UHFFFAOYSA-N
XLogP2.33
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(benzenesulfonamidomethyl)-1-benzofuran-7-yl]oxy]acetic acid
CID 15908539
2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid
CID 23470953
2-[[2-(benzenesulfonamido)acetyl]amino]oxyacetic acid
CID 63914257
2-[4-[(2,4-dimethylphenyl)methylsulfamoyl]phenoxy]acetic acid
CID 138041758
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-phenoxyacetamide
CID 652012
2-[4-(benzylsulfamoyl)-2-chlorophenoxy]acetic acid
CID 7342391
2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetic acid
CID 2228874
N-[4-(benzylsulfamoyl)phenyl]furan-2-carboxamide
CID 1315512
2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide
CID 5073873
N-[4-(benzenesulfonamidomethyl)phenyl]acetamide
CID 32683830
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 17106098
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-(benzenesulfonamido)acetate
CID 16599847

Frequently Asked Questions

What is the IUPAC name of 2-[5-(benzenesulfonamidomethyl)cyclopenta[c]pyran-1-yl]oxyacetic acid?
The IUPAC name of 2-[5-(benzenesulfonamidomethyl)cyclopenta[c]pyran-1-yl]oxyacetic acid (CID 57109163) is 2-[5-(benzenesulfonamidomethyl)cyclopenta[c]pyran-1-yl]oxyacetic acid.
What is the SMILES notation for 2-[5-(benzenesulfonamidomethyl)cyclopenta[c]pyran-1-yl]oxyacetic acid?
The canonical SMILES for 2-[5-(benzenesulfonamidomethyl)cyclopenta[c]pyran-1-yl]oxyacetic acid is O=C(O)COc1occc2c(CNS(=O)(=O)c3ccccc3)ccc1-2.
What is the InChIKey of 2-[5-(benzenesulfonamidomethyl)cyclopenta[c]pyran-1-yl]oxyacetic acid?
The InChIKey is HMHOCCLBMMEDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO6S/c19-16(20)11-24-17-15-7-6-12(14(15)8-9-23-17)10-18-25(21,22)13-4-2-1-3-5-13/h1-9,18H,10-11H2,(H,19,20).
What are the key properties of 2-[5-(benzenesulfonamidomethyl)cyclopenta[c]pyran-1-yl]oxyacetic acid?
2-[5-(benzenesulfonamidomethyl)cyclopenta[c]pyran-1-yl]oxyacetic acid has a molecular weight of 361.38 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(benzenesulfonamidomethyl)cyclopenta[c]pyran-1-yl]oxyacetic acid is sourced from PubChem (CID 57109163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).