2-[(4-methoxyphenyl)sulfonylamino]hexanoic acid

C13H19NO5S — CID 2907798

IUPAC2-[(4-methoxyphenyl)sulfonylamino]hexanoic acid
SMILESCCCCC(NS(=O)(=O)c1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C13H19NO5S/c1-3-4-5-12(13(15)16)14-20(17,18)11-8-6-10(19-2)7-9-11/h6-9,12,14H,3-5H2,1-2H3,(H,15,16)
InChIKeyUWWDQNXVCUNXSL-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.62
Rot. Bonds8

About 2-[(4-methoxyphenyl)sulfonylamino]hexanoic acid

2-[(4-methoxyphenyl)sulfonylamino]hexanoic acid (PubChem CID 2907798) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonylamino]hexanoic acid
PubChem CID2907798
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name2-[(4-methoxyphenyl)sulfonylamino]hexanoic acid
SMILESCCCCC(NS(=O)(=O)c1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C13H19NO5S/c1-3-4-5-12(13(15)16)14-20(17,18)11-8-6-10(19-2)7-9-11/h6-9,12,14H,3-5H2,1-2H3,(H,15,16)
InChIKeyUWWDQNXVCUNXSL-UHFFFAOYSA-N
XLogP1.62
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]hexanoic acid?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]hexanoic acid (CID 2907798) is 2-[(4-methoxyphenyl)sulfonylamino]hexanoic acid.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonylamino]hexanoic acid?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonylamino]hexanoic acid is CCCCC(NS(=O)(=O)c1ccc(OC)cc1)C(=O)O.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonylamino]hexanoic acid?
The InChIKey is UWWDQNXVCUNXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-3-4-5-12(13(15)16)14-20(17,18)11-8-6-10(19-2)7-9-11/h6-9,12,14H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 2-[(4-methoxyphenyl)sulfonylamino]hexanoic acid?
2-[(4-methoxyphenyl)sulfonylamino]hexanoic acid has a molecular weight of 301.36 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonylamino]hexanoic acid is sourced from PubChem (CID 2907798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).