4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]thiophene-2-carboxamide

C12H9F3N2O4S2 — CID 24761575

IUPAC4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]thiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C12H9F3N2O4S2/c13-12(14,15)21-8-3-1-7(2-4-8)17-23(19,20)9-5-10(11(16)18)22-6-9/h1-6,17H,(H2,16,18)
InChIKeyYOLJWHZRWMBPDV-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.55
Rot. Bonds5

About 4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]thiophene-2-carboxamide

4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]thiophene-2-carboxamide (PubChem CID 24761575) has the molecular formula C12H9F3N2O4S2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]thiophene-2-carboxamide
PubChem CID24761575
Molecular FormulaC12H9F3N2O4S2
Molecular Weight366.34 g/mol
Exact Mass366.00
IUPAC Name4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]thiophene-2-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C12H9F3N2O4S2/c13-12(14,15)21-8-3-1-7(2-4-8)17-23(19,20)9-5-10(11(16)18)22-6-9/h1-6,17H,(H2,16,18)
InChIKeyYOLJWHZRWMBPDV-UHFFFAOYSA-N
XLogP2.55
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]thiophene-2-carboxamide?
The IUPAC name of 4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]thiophene-2-carboxamide (CID 24761575) is 4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]thiophene-2-carboxamide is NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cs1.
What is the InChIKey of 4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]thiophene-2-carboxamide?
The InChIKey is YOLJWHZRWMBPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O4S2/c13-12(14,15)21-8-3-1-7(2-4-8)17-23(19,20)9-5-10(11(16)18)22-6-9/h1-6,17H,(H2,16,18).
What are the key properties of 4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]thiophene-2-carboxamide?
4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]thiophene-2-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 24761575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).