2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid

C12H19NO5S2 — CID 107847683

IUPAC2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)NCCCCCCO)s1
InChIInChI=1S/C12H19NO5S2/c14-8-4-2-1-3-7-13-20(17,18)12-6-5-10(19-12)9-11(15)16/h5-6,13-14H,1-4,7-9H2,(H,15,16)
InChIKeySVGVEZFANSJSAI-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.21
Rot. Bonds10

About 2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid

2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid (PubChem CID 107847683) has the molecular formula C12H19NO5S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid
PubChem CID107847683
Molecular FormulaC12H19NO5S2
Molecular Weight321.42 g/mol
Exact Mass321.07
IUPAC Name2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)NCCCCCCO)s1
InChIInChI=1S/C12H19NO5S2/c14-8-4-2-1-3-7-13-20(17,18)12-6-5-10(19-12)9-11(15)16/h5-6,13-14H,1-4,7-9H2,(H,15,16)
InChIKeySVGVEZFANSJSAI-UHFFFAOYSA-N
XLogP1.21
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]acetic acid
CID 29045889
2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 61067934
2-[5-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 60926141
2-[5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 43401345
2-[5-[2-(furan-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 60681336
2-[5-[(6-hydroxyhexylamino)methyl]thiophen-2-yl]acetic acid
CID 114008737
2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 83177239
5-(hydroxymethyl)-N-(7-methyloctyl)thiophene-2-sulfonamide
CID 107818588
2-[5-[2-[2-methoxyethyl(methyl)amino]ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 62844503
2-[5-(1-hydroxypentan-3-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 113495561
2-[5-(2-ethoxypropylsulfamoyl)thiophen-2-yl]acetic acid
CID 113477021
N-(3-bromopropyl)-5-ethylthiophene-2-sulfonamide
CID 61454391

Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid (CID 107847683) is 2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid is O=C(O)Cc1ccc(S(=O)(=O)NCCCCCCO)s1.
What is the InChIKey of 2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid?
The InChIKey is SVGVEZFANSJSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5S2/c14-8-4-2-1-3-7-13-20(17,18)12-6-5-10(19-12)9-11(15)16/h5-6,13-14H,1-4,7-9H2,(H,15,16).
What are the key properties of 2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid?
2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid has a molecular weight of 321.42 g/mol, XLogP of 1.21, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid is sourced from PubChem (CID 107847683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).