3-[[3,5-bis(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid

C13H7F6NO4S2 — CID 20623595

IUPAC3-[[3,5-bis(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H7F6NO4S2/c14-12(15,16)6-3-7(13(17,18)19)5-8(4-6)20-26(23,24)9-1-2-25-10(9)11(21)22/h1-5,20H,(H,21,22)
InChIKeyYRMQRNOPXOVBSZ-UHFFFAOYSA-N
MW419.32 g/mol
LogP4.28
Rot. Bonds4

About 3-[[3,5-bis(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid

3-[[3,5-bis(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 20623595) has the molecular formula C13H7F6NO4S2 and a molecular weight of 419.32 g/mol. Its IUPAC name is 3-[[3,5-bis(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[3,5-bis(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
PubChem CID20623595
Molecular FormulaC13H7F6NO4S2
Molecular Weight419.32 g/mol
Exact Mass418.97
IUPAC Name3-[[3,5-bis(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H7F6NO4S2/c14-12(15,16)6-3-7(13(17,18)19)5-8(4-6)20-26(23,24)9-1-2-25-10(9)11(21)22/h1-5,20H,(H,21,22)
InChIKeyYRMQRNOPXOVBSZ-UHFFFAOYSA-N
XLogP4.28
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Thiophene-2-sulfonamido)benzoic acid
CID 873172
3-[[4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenyl]sulfamoyl]-2-thiophenecarboxylic acid methyl ester
CID 44237406
3-(Thiophene-2-sulfonamido)benzoic acid
CID 800088
3-[(4-Carboxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 11244305
5-[(3-Iodophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43314539
5-{[3-(Methoxymethyl)phenyl]sulfamoyl}thiophene-3-carboxylic acid
CID 33821789
3-[(4-Fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 17221149
3-(4-Sulfamoyl-phenylsulfamoyl)-thiophene-2-carboxylic acid
CID 2809622
5-[(3-Ethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43314463
5-[(3-Acetylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 53510056
3-[(5-Ethylthiophen-2-yl)sulfonylamino]-4-fluorobenzoic acid
CID 53535832
5-[(5-Ethylthiophen-2-yl)sulfonylamino]-2,4-difluorobenzoic acid
CID 56816757

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid (CID 20623595) is 3-[[3,5-bis(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[3,5-bis(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[3,5-bis(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[[3,5-bis(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is YRMQRNOPXOVBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F6NO4S2/c14-12(15,16)6-3-7(13(17,18)19)5-8(4-6)20-26(23,24)9-1-2-25-10(9)11(21)22/h1-5,20H,(H,21,22).
What are the key properties of 3-[[3,5-bis(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid?
3-[[3,5-bis(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 419.32 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-bis(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 20623595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).