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

C13H12N6O3S2 — CID 5330803

IUPAC4-[[5-amino-1-(thiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1cccs1
InChIInChI=1S/C13H12N6O3S2/c14-12-17-13(18-19(12)11(20)10-2-1-7-23-10)16-8-3-5-9(6-4-8)24(15,21)22/h1-7H,(H2,15,21,22)(H3,14,16,17,18)
InChIKeyDXKGSLMPGXZMRN-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.00
Rot. Bonds4

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

4-[[5-amino-1-(thiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide (PubChem CID 5330803) has the molecular formula C13H12N6O3S2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-[[5-amino-1-(thiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-amino-1-(thiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
PubChem CID5330803
Molecular FormulaC13H12N6O3S2
Molecular Weight364.41 g/mol
Exact Mass364.04
IUPAC Name4-[[5-amino-1-(thiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
SMILESNc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1cccs1
InChIInChI=1S/C13H12N6O3S2/c14-12-17-13(18-19(12)11(20)10-2-1-7-23-10)16-8-3-5-9(6-4-8)24(15,21)22/h1-7H,(H2,15,21,22)(H3,14,16,17,18)
InChIKeyDXKGSLMPGXZMRN-UHFFFAOYSA-N
XLogP1.00
TPSA145.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

3-Methylthienyl-carbonyl-JNJ-7706621
CID 5330804
4-(5-amino-1-(2,4-dimethylthiophene-5-carbonyl)-1H-1,2,4-triazol-3-ylamino)benzenesulfonamide
CID 5330805
4-[[5-Amino-1-[(3-fluoro-2-thienyl)carbonyl]-1h-1,2,4-triazol-3-yl]amino]-benzenesulfonamide
CID 5330806
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide
CID 665780
N-[[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamothioyl]thiophene-2-carboxamide
CID 1981002
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
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
N-[4-[[5-amino-1-(3,5-dimethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]phenyl]methanesulfonamide
CID 10136030
N-[2-[5-amino-3-(4-sulfamoylanilino)-1,2,4-triazole-1-carbonyl]thiophen-3-yl]acetamide
CID 10136979

Frequently Asked Questions

What is the IUPAC name of 4-[[5-amino-1-(thiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[5-amino-1-(thiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide (CID 5330803) is 4-[[5-amino-1-(thiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-amino-1-(thiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[5-amino-1-(thiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide is Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1cccs1.
What is the InChIKey of 4-[[5-amino-1-(thiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide?
The InChIKey is DXKGSLMPGXZMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O3S2/c14-12-17-13(18-19(12)11(20)10-2-1-7-23-10)16-8-3-5-9(6-4-8)24(15,21)22/h1-7H,(H2,15,21,22)(H3,14,16,17,18).
What are the key properties of 4-[[5-amino-1-(thiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide?
4-[[5-amino-1-(thiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide has a molecular weight of 364.41 g/mol, XLogP of 1.00, 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-(thiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 5330803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).