3-[4-(2-methoxypropylsulfamoyl)phenyl]propanoic acid

C13H19NO5S — CID 102695591

IUPAC3-[4-(2-methoxypropylsulfamoyl)phenyl]propanoic acid
SMILESCOC(C)CNS(=O)(=O)c1ccc(CCC(=O)O)cc1
InChIInChI=1S/C13H19NO5S/c1-10(19-2)9-14-20(17,18)12-6-3-11(4-7-12)5-8-13(15)16/h3-4,6-7,10,14H,5,8-9H2,1-2H3,(H,15,16)
InChIKeyYVBLOIJCNTVWOC-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.02
Rot. Bonds8

About 3-[4-(2-methoxypropylsulfamoyl)phenyl]propanoic acid

3-[4-(2-methoxypropylsulfamoyl)phenyl]propanoic acid (PubChem CID 102695591) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is 3-[4-(2-methoxypropylsulfamoyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-methoxypropylsulfamoyl)phenyl]propanoic acid
PubChem CID102695591
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC Name3-[4-(2-methoxypropylsulfamoyl)phenyl]propanoic acid
SMILESCOC(C)CNS(=O)(=O)c1ccc(CCC(=O)O)cc1
InChIInChI=1S/C13H19NO5S/c1-10(19-2)9-14-20(17,18)12-6-3-11(4-7-12)5-8-13(15)16/h3-4,6-7,10,14H,5,8-9H2,1-2H3,(H,15,16)
InChIKeyYVBLOIJCNTVWOC-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-[4-(2-methoxypropylsulfamoyl)phenyl]prop-2-enoic acid
CID 102695662
3-[4-(3-methoxybutyl)phenyl]propanoic acid
CID 117114845
3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid
CID 14536999
3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 895367
5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid
CID 102695710
3-[4-(but-3-yn-2-ylsulfamoyl)phenyl]propanoic acid
CID 114414836
3-[4-(2,2-dimethylbutylsulfamoyl)phenyl]propanoic acid
CID 103460294
2-iodo-5-(2-methoxypropylsulfamoyl)benzoic acid
CID 102695735
3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CID 19388113
5-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683360
3-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]propanoic acid
CID 17341594
4-(2-chloroethyl)-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 28719373

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxypropylsulfamoyl)phenyl]propanoic acid?
The IUPAC name of 3-[4-(2-methoxypropylsulfamoyl)phenyl]propanoic acid (CID 102695591) is 3-[4-(2-methoxypropylsulfamoyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(2-methoxypropylsulfamoyl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(2-methoxypropylsulfamoyl)phenyl]propanoic acid is COC(C)CNS(=O)(=O)c1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-[4-(2-methoxypropylsulfamoyl)phenyl]propanoic acid?
The InChIKey is YVBLOIJCNTVWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-10(19-2)9-14-20(17,18)12-6-3-11(4-7-12)5-8-13(15)16/h3-4,6-7,10,14H,5,8-9H2,1-2H3,(H,15,16).
What are the key properties of 3-[4-(2-methoxypropylsulfamoyl)phenyl]propanoic acid?
3-[4-(2-methoxypropylsulfamoyl)phenyl]propanoic acid has a molecular weight of 301.36 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxypropylsulfamoyl)phenyl]propanoic acid is sourced from PubChem (CID 102695591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).