4-[[5-amino-1-(3-fluorothiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide

C13H11FN6O3S2 — CID 5330806

IUPAC4-[[5-amino-1-(3-fluorothiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1sccc1F
InChIInChI=1S/C13H11FN6O3S2/c14-9-5-6-24-10(9)11(21)20-12(15)18-13(19-20)17-7-1-3-8(4-2-7)25(16,22)23/h1-6H,(H2,16,22,23)(H3,15,17,18,19)
InChIKeyQPQPCKPZCWKFDE-UHFFFAOYSA-N
MW382.40 g/mol
LogP1.14
Rot. Bonds4

About 4-[[5-amino-1-(3-fluorothiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide

4-[[5-amino-1-(3-fluorothiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide (PubChem CID 5330806) has the molecular formula C13H11FN6O3S2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 4-[[5-amino-1-(3-fluorothiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-amino-1-(3-fluorothiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
PubChem CID5330806
Molecular FormulaC13H11FN6O3S2
Molecular Weight382.40 g/mol
Exact Mass382.03
IUPAC Name4-[[5-amino-1-(3-fluorothiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1sccc1F
InChIInChI=1S/C13H11FN6O3S2/c14-9-5-6-24-10(9)11(21)20-12(15)18-13(19-20)17-7-1-3-8(4-2-7)25(16,22)23/h1-6H,(H2,16,22,23)(H3,15,17,18,19)
InChIKeyQPQPCKPZCWKFDE-UHFFFAOYSA-N
XLogP1.14
TPSA145.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[[5-amino-1-(3-fluorothiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methylthienyl-carbonyl-JNJ-7706621
CID 5330804
4-[[5-Amino-1-(2-thienylcarbonyl)-1h-1,2,4-triazol-3-yl]amino]-benzenesulfonamide
CID 5330803
4-(5-amino-1-(2,4-dimethylthiophene-5-carbonyl)-1H-1,2,4-triazol-3-ylamino)benzenesulfonamide
CID 5330805
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide
CID 665780
4-((5-amino-1-(3-methylthiophene-2-carbonyl)-1H-1,2,4-triazol-3-yl)amino)-N-(2-(prop-2-yn-1-yloxy)ethyl)benzenesulfonamide
CID 155294155
4-[(4-fluorophenyl)-methylsulfamoyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 6503725
4-[(4-fluorophenyl)-methylsulfamoyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 6503727
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
CID 56153389
1-(5-Amino-3-anilino-1,2,4-triazol-1-yl)-2-thiophen-2-ylethanone
CID 9796323
4-[[5-amino-1-(3,5-dimethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-methylbenzenesulfonamide
CID 10112013
4-[[5-amino-1-(3-methylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 10112014
4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 10115707

Frequently Asked Questions

What is the IUPAC name of 4-[[5-amino-1-(3-fluorothiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[5-amino-1-(3-fluorothiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide (CID 5330806) is 4-[[5-amino-1-(3-fluorothiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-amino-1-(3-fluorothiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[5-amino-1-(3-fluorothiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide is Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1sccc1F.
What is the InChIKey of 4-[[5-amino-1-(3-fluorothiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide?
The InChIKey is QPQPCKPZCWKFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN6O3S2/c14-9-5-6-24-10(9)11(21)20-12(15)18-13(19-20)17-7-1-3-8(4-2-7)25(16,22)23/h1-6H,(H2,16,22,23)(H3,15,17,18,19).
What are the key properties of 4-[[5-amino-1-(3-fluorothiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide?
4-[[5-amino-1-(3-fluorothiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide has a molecular weight of 382.40 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-amino-1-(3-fluorothiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 5330806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).