4-ethoxy-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide

C12H16N4O3S2 — CID 108781539

IUPAC4-ethoxy-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2nc(SCC)n[nH]2)cc1
InChIInChI=1S/C12H16N4O3S2/c1-3-19-9-5-7-10(8-6-9)21(17,18)16-11-13-12(15-14-11)20-4-2/h5-8H,3-4H2,1-2H3,(H2,13,14,15,16)
InChIKeyHHUXMFPLZXYVSM-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.12
Rot. Bonds7

About 4-ethoxy-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide

4-ethoxy-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide (PubChem CID 108781539) has the molecular formula C12H16N4O3S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-ethoxy-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide
PubChem CID108781539
Molecular FormulaC12H16N4O3S2
Molecular Weight328.42 g/mol
Exact Mass328.07
IUPAC Name4-ethoxy-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2nc(SCC)n[nH]2)cc1
InChIInChI=1S/C12H16N4O3S2/c1-3-19-9-5-7-10(8-6-9)21(17,18)16-11-13-12(15-14-11)20-4-2/h5-8H,3-4H2,1-2H3,(H2,13,14,15,16)
InChIKeyHHUXMFPLZXYVSM-UHFFFAOYSA-N
XLogP2.12
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-4-methoxybenzenesulfonamide
CID 5019580
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)thiophene-2-sulfonamide
CID 108781522
N-(4,6-dimethylpyrimidin-2-yl)-4-ethoxybenzenesulfonamide
CID 22202469
4-ethoxy-N-(2-ethylsulfanylphenyl)benzenesulfonamide
CID 30396497
4-ethoxy-N-(4-ethyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104620964
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
3-(4-ethylphenoxy)-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)propanamide
CID 108733115
N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-4-(2-methylpropoxy)benzamide
CID 108733030
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 8860403

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide (CID 108781539) is 4-ethoxy-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2nc(SCC)n[nH]2)cc1.
What is the InChIKey of 4-ethoxy-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The InChIKey is HHUXMFPLZXYVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S2/c1-3-19-9-5-7-10(8-6-9)21(17,18)16-11-13-12(15-14-11)20-4-2/h5-8H,3-4H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-ethoxy-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide?
4-ethoxy-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide has a molecular weight of 328.42 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 108781539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).