5-[[3-(difluoromethoxy)phenyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid

C13H11F2NO5S2 — CID 56795854

IUPAC5-[[3-(difluoromethoxy)phenyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2cccc(OC(F)F)c2)sc1C(=O)O
InChIInChI=1S/C13H11F2NO5S2/c1-7-5-10(22-11(7)12(17)18)23(19,20)16-8-3-2-4-9(6-8)21-13(14)15/h2-6,13,16H,1H3,(H,17,18)
InChIKeyCXPPOLTYTHKTLC-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.16
Rot. Bonds6

About 5-[[3-(difluoromethoxy)phenyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[[3-(difluoromethoxy)phenyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 56795854) has the molecular formula C13H11F2NO5S2 and a molecular weight of 363.36 g/mol. Its IUPAC name is 5-[[3-(difluoromethoxy)phenyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(difluoromethoxy)phenyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID56795854
Molecular FormulaC13H11F2NO5S2
Molecular Weight363.36 g/mol
Exact Mass363.00
IUPAC Name5-[[3-(difluoromethoxy)phenyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2cccc(OC(F)F)c2)sc1C(=O)O
InChIInChI=1S/C13H11F2NO5S2/c1-7-5-10(22-11(7)12(17)18)23(19,20)16-8-3-2-4-9(6-8)21-13(14)15/h2-6,13,16H,1H3,(H,17,18)
InChIKeyCXPPOLTYTHKTLC-UHFFFAOYSA-N
XLogP3.16
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(difluoromethoxy)phenyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[[3-(difluoromethoxy)phenyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 56795854) is 5-[[3-(difluoromethoxy)phenyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(difluoromethoxy)phenyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[[3-(difluoromethoxy)phenyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)Nc2cccc(OC(F)F)c2)sc1C(=O)O.
What is the InChIKey of 5-[[3-(difluoromethoxy)phenyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is CXPPOLTYTHKTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO5S2/c1-7-5-10(22-11(7)12(17)18)23(19,20)16-8-3-2-4-9(6-8)21-13(14)15/h2-6,13,16H,1H3,(H,17,18).
What are the key properties of 5-[[3-(difluoromethoxy)phenyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[[3-(difluoromethoxy)phenyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 363.36 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(difluoromethoxy)phenyl]sulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 56795854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).