3-hydroxy-5-(3-morpholin-4-ylpropylsulfonylamino)benzoic acid

C14H20N2O6S — CID 90187197

IUPAC3-hydroxy-5-(3-morpholin-4-ylpropylsulfonylamino)benzoic acid
SMILESO=C(O)c1cc(O)cc(NS(=O)(=O)CCCN2CCOCC2)c1
InChIInChI=1S/C14H20N2O6S/c17-13-9-11(14(18)19)8-12(10-13)15-23(20,21)7-1-2-16-3-5-22-6-4-16/h8-10,15,17H,1-7H2,(H,18,19)
InChIKeyHSLBCVADOGYOPU-UHFFFAOYSA-N
MW344.39 g/mol
LogP0.55
Rot. Bonds7

About 3-hydroxy-5-(3-morpholin-4-ylpropylsulfonylamino)benzoic acid

3-hydroxy-5-(3-morpholin-4-ylpropylsulfonylamino)benzoic acid (PubChem CID 90187197) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-hydroxy-5-(3-morpholin-4-ylpropylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name3-hydroxy-5-(3-morpholin-4-ylpropylsulfonylamino)benzoic acid
PubChem CID90187197
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Name3-hydroxy-5-(3-morpholin-4-ylpropylsulfonylamino)benzoic acid
SMILESO=C(O)c1cc(O)cc(NS(=O)(=O)CCCN2CCOCC2)c1
InChIInChI=1S/C14H20N2O6S/c17-13-9-11(14(18)19)8-12(10-13)15-23(20,21)7-1-2-16-3-5-22-6-4-16/h8-10,15,17H,1-7H2,(H,18,19)
InChIKeyHSLBCVADOGYOPU-UHFFFAOYSA-N
XLogP0.55
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(3-morpholin-4-ylpropylsulfonylamino)benzoic acid?
The IUPAC name of 3-hydroxy-5-(3-morpholin-4-ylpropylsulfonylamino)benzoic acid (CID 90187197) is 3-hydroxy-5-(3-morpholin-4-ylpropylsulfonylamino)benzoic acid.
What is the SMILES notation for 3-hydroxy-5-(3-morpholin-4-ylpropylsulfonylamino)benzoic acid?
The canonical SMILES for 3-hydroxy-5-(3-morpholin-4-ylpropylsulfonylamino)benzoic acid is O=C(O)c1cc(O)cc(NS(=O)(=O)CCCN2CCOCC2)c1.
What is the InChIKey of 3-hydroxy-5-(3-morpholin-4-ylpropylsulfonylamino)benzoic acid?
The InChIKey is HSLBCVADOGYOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6S/c17-13-9-11(14(18)19)8-12(10-13)15-23(20,21)7-1-2-16-3-5-22-6-4-16/h8-10,15,17H,1-7H2,(H,18,19).
What are the key properties of 3-hydroxy-5-(3-morpholin-4-ylpropylsulfonylamino)benzoic acid?
3-hydroxy-5-(3-morpholin-4-ylpropylsulfonylamino)benzoic acid has a molecular weight of 344.39 g/mol, XLogP of 0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(3-morpholin-4-ylpropylsulfonylamino)benzoic acid is sourced from PubChem (CID 90187197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).