4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide

C12H14N4O3S — CID 142901411

IUPAC4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide
SMILESC=C(CC)c1nc(=O)[nH]n1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H14N4O3S/c1-3-8(2)11-14-12(17)15-16(11)9-4-6-10(7-5-9)20(13,18)19/h4-7H,2-3H2,1H3,(H,15,17)(H2,13,18,19)
InChIKeyZNFCPJNHJXLILZ-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.63
Rot. Bonds4

About 4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide

4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide (PubChem CID 142901411) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide
PubChem CID142901411
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide
SMILESC=C(CC)c1nc(=O)[nH]n1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H14N4O3S/c1-3-8(2)11-14-12(17)15-16(11)9-4-6-10(7-5-9)20(13,18)19/h4-7H,2-3H2,1H3,(H,15,17)(H2,13,18,19)
InChIKeyZNFCPJNHJXLILZ-UHFFFAOYSA-N
XLogP0.63
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-oxo-3-phenyl-1H-1,2,4-triazol-2-yl)benzenesulfonamide
CID 10403463
4-(3-sulfanylidene-5-tridecyl-1H-1,2,4-triazol-2-yl)benzenesulfonamide
CID 91519389
4-(4-formyl-5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonamide
CID 71761640
4-[2-[1-[2-(4-methoxyphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]ethylideneamino]ethyl]benzenesulfonamide
CID 135414861
4-propanoylbenzenesulfonamide
CID 70209431
4-(3-methyl-2-oxobut-3-enyl)benzenesulfonamide
CID 58422539
4-[5-[(E)-pent-2-en-3-yl]-3-propan-2-ylsulfanyl-1,2,4-triazol-1-yl]benzenesulfonamide
CID 142901404
4-(5-methyl-4-propanoyltriazol-1-yl)benzenesulfonamide
CID 171353418
4-[2-[[2-(4-fluorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]methylideneamino]ethyl]benzenesulfonamide
CID 4222773
4-[1-(4-methoxyphenyl)-3-propanoylpyrazol-5-yl]benzenesulfonamide
CID 162670996
methyl 2-[2-(4-methoxyphenyl)-4-[C-methyl-N-[(4-sulfamoylphenyl)methyl]carbonimidoyl]-3-oxo-1H-pyrazol-5-yl]acetate
CID 135687829
4-[(4E)-4-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-methylidene-5-oxopyrazolidin-1-yl]benzenesulfonamide
CID 2264015

Frequently Asked Questions

What is the IUPAC name of 4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide (CID 142901411) is 4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide is C=C(CC)c1nc(=O)[nH]n1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide?
The InChIKey is ZNFCPJNHJXLILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-3-8(2)11-14-12(17)15-16(11)9-4-6-10(7-5-9)20(13,18)19/h4-7H,2-3H2,1H3,(H,15,17)(H2,13,18,19).
What are the key properties of 4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide?
4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide has a molecular weight of 294.34 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-but-1-en-2-yl-5-oxo-1H-1,2,4-triazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 142901411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).