3-[[cyclopropyl-(2,5-difluorophenyl)methyl]sulfamoyl]thiophene-2-carboxylic acid

C15H13F2NO4S2 — CID 166239307

IUPAC3-[[cyclopropyl-(2,5-difluorophenyl)methyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NC(c1cc(F)ccc1F)C1CC1
InChIInChI=1S/C15H13F2NO4S2/c16-9-3-4-11(17)10(7-9)13(8-1-2-8)18-24(21,22)12-5-6-23-14(12)15(19)20/h3-8,13,18H,1-2H2,(H,19,20)
InChIKeyHGWQOIMESFFNML-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.15
Rot. Bonds6

About 3-[[cyclopropyl-(2,5-difluorophenyl)methyl]sulfamoyl]thiophene-2-carboxylic acid

3-[[cyclopropyl-(2,5-difluorophenyl)methyl]sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 166239307) has the molecular formula C15H13F2NO4S2 and a molecular weight of 373.40 g/mol. Its IUPAC name is 3-[[cyclopropyl-(2,5-difluorophenyl)methyl]sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[cyclopropyl-(2,5-difluorophenyl)methyl]sulfamoyl]thiophene-2-carboxylic acid
PubChem CID166239307
Molecular FormulaC15H13F2NO4S2
Molecular Weight373.40 g/mol
Exact Mass373.03
IUPAC Name3-[[cyclopropyl-(2,5-difluorophenyl)methyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NC(c1cc(F)ccc1F)C1CC1
InChIInChI=1S/C15H13F2NO4S2/c16-9-3-4-11(17)10(7-9)13(8-1-2-8)18-24(21,22)12-5-6-23-14(12)15(19)20/h3-8,13,18H,1-2H2,(H,19,20)
InChIKeyHGWQOIMESFFNML-UHFFFAOYSA-N
XLogP3.15
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-cyclohexylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 62406837
3-[(5-fluoro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43090747
3-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43609997
3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 62811245
3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
CID 115279685
3-[(2-chloro-4,6-difluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 83073347
3-[(4-bromo-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235732
3-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81354448
4-[(2,5-difluorophenyl)-(methylamino)methyl]cyclohexan-1-ol
CID 116957012
3-(3-methylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 54950851
2-cyclopropyl-2-[1-(2,5-difluorophenyl)ethylamino]acetic acid
CID 65060465
3-[(4-chloro-2-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235706

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl-(2,5-difluorophenyl)methyl]sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[cyclopropyl-(2,5-difluorophenyl)methyl]sulfamoyl]thiophene-2-carboxylic acid (CID 166239307) is 3-[[cyclopropyl-(2,5-difluorophenyl)methyl]sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[cyclopropyl-(2,5-difluorophenyl)methyl]sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[cyclopropyl-(2,5-difluorophenyl)methyl]sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)NC(c1cc(F)ccc1F)C1CC1.
What is the InChIKey of 3-[[cyclopropyl-(2,5-difluorophenyl)methyl]sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is HGWQOIMESFFNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO4S2/c16-9-3-4-11(17)10(7-9)13(8-1-2-8)18-24(21,22)12-5-6-23-14(12)15(19)20/h3-8,13,18H,1-2H2,(H,19,20).
What are the key properties of 3-[[cyclopropyl-(2,5-difluorophenyl)methyl]sulfamoyl]thiophene-2-carboxylic acid?
3-[[cyclopropyl-(2,5-difluorophenyl)methyl]sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 373.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl-(2,5-difluorophenyl)methyl]sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 166239307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).