3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid

C8H9F2NO5S2 — CID 114153141

IUPAC3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C8H9F2NO5S2/c9-8(10,4-12)3-11-18(15,16)5-1-2-17-6(5)7(13)14/h1-2,11-12H,3-4H2,(H,13,14)
InChIKeyFHOIJERIDIQQRC-UHFFFAOYSA-N
MW301.29 g/mol
LogP0.35
Rot. Bonds6

About 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid

3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 114153141) has the molecular formula C8H9F2NO5S2 and a molecular weight of 301.29 g/mol. Its IUPAC name is 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID114153141
Molecular FormulaC8H9F2NO5S2
Molecular Weight301.29 g/mol
Exact Mass300.99
IUPAC Name3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C8H9F2NO5S2/c9-8(10,4-12)3-11-18(15,16)5-1-2-17-6(5)7(13)14/h1-2,11-12H,3-4H2,(H,13,14)
InChIKeyFHOIJERIDIQQRC-UHFFFAOYSA-N
XLogP0.35
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61167041
3-(2,2,3,3-tetrafluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 114169173
3-(4,4,4-trifluorobutylsulfamoyl)thiophene-2-carboxylic acid
CID 113326823
3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid
CID 107316565
3-[(1-hydroxy-2-methylbutan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 64551364
3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
CID 115279685
3-(butylsulfamoyl)thiophene-2-carboxylic acid
CID 17221125
3-[2-(2-hydroxyethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 62499441
3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
CID 43235766
3-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 17221138
3-(4-methylpentylsulfamoyl)thiophene-2-carboxylic acid
CID 60745563
3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid
CID 83004979

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid (CID 114153141) is 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)NCC(F)(F)CO.
What is the InChIKey of 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is FHOIJERIDIQQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO5S2/c9-8(10,4-12)3-11-18(15,16)5-1-2-17-6(5)7(13)14/h1-2,11-12H,3-4H2,(H,13,14).
What are the key properties of 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid?
3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 301.29 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 114153141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).