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

C15H16N6O3S2 — CID 10157342

IUPAC4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
SMILESCCc1ccc(C(=O)n2nc(Nc3ccc(S(N)(=O)=O)cc3)nc2N)s1
InChIInChI=1S/C15H16N6O3S2/c1-2-10-5-8-12(25-10)13(22)21-14(16)19-15(20-21)18-9-3-6-11(7-4-9)26(17,23)24/h3-8H,2H2,1H3,(H2,17,23,24)(H3,16,18,19,20)
InChIKeyURPTZIKQRWECBS-UHFFFAOYSA-N
MW392.47 g/mol
LogP1.56
Rot. Bonds5

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

4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide (PubChem CID 10157342) has the molecular formula C15H16N6O3S2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
PubChem CID10157342
Molecular FormulaC15H16N6O3S2
Molecular Weight392.47 g/mol
Exact Mass392.07
IUPAC Name4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
SMILESCCc1ccc(C(=O)n2nc(Nc3ccc(S(N)(=O)=O)cc3)nc2N)s1
InChIInChI=1S/C15H16N6O3S2/c1-2-10-5-8-12(25-10)13(22)21-14(16)19-15(20-21)18-9-3-6-11(7-4-9)26(17,23)24/h3-8H,2H2,1H3,(H2,17,23,24)(H3,16,18,19,20)
InChIKeyURPTZIKQRWECBS-UHFFFAOYSA-N
XLogP1.56
TPSA145.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[[5-amino-1-(5-ethylthiophene-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-benzoyl-1H-1,2,4-triazol-3-yl)amino)benzenesulfonamide
CID 5330789
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
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
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

Frequently Asked Questions

What is the IUPAC name of 4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide (CID 10157342) is 4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide is CCc1ccc(C(=O)n2nc(Nc3ccc(S(N)(=O)=O)cc3)nc2N)s1.
What is the InChIKey of 4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide?
The InChIKey is URPTZIKQRWECBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3S2/c1-2-10-5-8-12(25-10)13(22)21-14(16)19-15(20-21)18-9-3-6-11(7-4-9)26(17,23)24/h3-8H,2H2,1H3,(H2,17,23,24)(H3,16,18,19,20).
What are the key properties of 4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide?
4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide has a molecular weight of 392.47 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-amino-1-(5-ethylthiophene-2-carbonyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide is sourced from PubChem (CID 10157342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).