2-hydroxy-5-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid

C13H17NO6S — CID 60727298

IUPAC2-hydroxy-5-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCC2CCCO2)ccc1O
InChIInChI=1S/C13H17NO6S/c15-12-4-3-10(8-11(12)13(16)17)21(18,19)14-6-5-9-2-1-7-20-9/h3-4,8-9,14-15H,1-2,5-7H2,(H,16,17)
InChIKeyZYMRPPFRCIRKHI-UHFFFAOYSA-N
MW315.35 g/mol
LogP0.94
Rot. Bonds6

About 2-hydroxy-5-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid

2-hydroxy-5-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid (PubChem CID 60727298) has the molecular formula C13H17NO6S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-hydroxy-5-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
PubChem CID60727298
Molecular FormulaC13H17NO6S
Molecular Weight315.35 g/mol
Exact Mass315.08
IUPAC Name2-hydroxy-5-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCC2CCCO2)ccc1O
InChIInChI=1S/C13H17NO6S/c15-12-4-3-10(8-11(12)13(16)17)21(18,19)14-6-5-9-2-1-7-20-9/h3-4,8-9,14-15H,1-2,5-7H2,(H,16,17)
InChIKeyZYMRPPFRCIRKHI-UHFFFAOYSA-N
XLogP0.94
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 43081600
2-[4-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetic acid
CID 61039961
4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride
CID 114958224
5-(3-methylbutylsulfamoyl)-2-[[(2R)-oxolan-2-yl]methylamino]benzoic acid
CID 99986424
2-[[(2R)-oxolan-2-yl]methylamino]-5-(2-phenylethylsulfamoyl)benzoic acid
CID 99984746
2-methyl-3-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 63743835
2-(ethylamino)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99988830
2-(ethylamino)-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 133167657
2-(tert-butylamino)-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 99985396
ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate
CID 94814688
5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid
CID 61403327
5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid
CID 43091618

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid (CID 60727298) is 2-hydroxy-5-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid is O=C(O)c1cc(S(=O)(=O)NCCC2CCCO2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid?
The InChIKey is ZYMRPPFRCIRKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6S/c15-12-4-3-10(8-11(12)13(16)17)21(18,19)14-6-5-9-2-1-7-20-9/h3-4,8-9,14-15H,1-2,5-7H2,(H,16,17).
What are the key properties of 2-hydroxy-5-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid?
2-hydroxy-5-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid has a molecular weight of 315.35 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 60727298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).