4-[(4-fluorophenyl)-methylsulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

C14H11FN4O3S3 — CID 6503725

IUPAC4-[(4-fluorophenyl)-methylsulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1csc(C(=O)Nc2nncs2)c1
InChIInChI=1S/C14H11FN4O3S3/c1-19(10-4-2-9(15)3-5-10)25(21,22)11-6-12(23-7-11)13(20)17-14-18-16-8-24-14/h2-8H,1H3,(H,17,18,20)
InChIKeyKEVADHITAZZQCN-UHFFFAOYSA-N
MW398.47 g/mol
LogP2.82
Rot. Bonds5

About 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

4-[(4-fluorophenyl)-methylsulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 6503725) has the molecular formula C14H11FN4O3S3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-methylsulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID6503725
Molecular FormulaC14H11FN4O3S3
Molecular Weight398.47 g/mol
Exact Mass398.00
IUPAC Name4-[(4-fluorophenyl)-methylsulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)c1csc(C(=O)Nc2nncs2)c1
InChIInChI=1S/C14H11FN4O3S3/c1-19(10-4-2-9(15)3-5-10)25(21,22)11-6-12(23-7-11)13(20)17-14-18-16-8-24-14/h2-8H,1H3,(H,17,18,20)
InChIKeyKEVADHITAZZQCN-UHFFFAOYSA-N
XLogP2.82
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 6503725) is 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is CN(c1ccc(F)cc1)S(=O)(=O)c1csc(C(=O)Nc2nncs2)c1.
What is the InChIKey of 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is KEVADHITAZZQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O3S3/c1-19(10-4-2-9(15)3-5-10)25(21,22)11-6-12(23-7-11)13(20)17-14-18-16-8-24-14/h2-8H,1H3,(H,17,18,20).
What are the key properties of 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
4-[(4-fluorophenyl)-methylsulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-methylsulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 6503725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).