N-(1,3-thiazol-2-yl)buta-1,3-diene-2-sulfonamide

C7H8N2O2S2 — CID 123778595

IUPACN-(1,3-thiazol-2-yl)buta-1,3-diene-2-sulfonamide
SMILESC=CC(=C)S(=O)(=O)Nc1nccs1
InChIInChI=1S/C7H8N2O2S2/c1-3-6(2)13(10,11)9-7-8-4-5-12-7/h3-5H,1-2H2,(H,8,9)
InChIKeyPPCWNXFNWWUDSZ-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.58
Rot. Bonds4

About N-(1,3-thiazol-2-yl)buta-1,3-diene-2-sulfonamide

N-(1,3-thiazol-2-yl)buta-1,3-diene-2-sulfonamide (PubChem CID 123778595) has the molecular formula C7H8N2O2S2 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)buta-1,3-diene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)buta-1,3-diene-2-sulfonamide
PubChem CID123778595
Molecular FormulaC7H8N2O2S2
Molecular Weight216.29 g/mol
Exact Mass216.00
IUPAC NameN-(1,3-thiazol-2-yl)buta-1,3-diene-2-sulfonamide
SMILESC=CC(=C)S(=O)(=O)Nc1nccs1
InChIInChI=1S/C7H8N2O2S2/c1-3-6(2)13(10,11)9-7-8-4-5-12-7/h3-5H,1-2H2,(H,8,9)
InChIKeyPPCWNXFNWWUDSZ-UHFFFAOYSA-N
XLogP1.58
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-Thiazolamine, sulfate (1:1)
CID 113363
n-butyl-N-2-thiazolylsulfonamide
CID 9117500
3-Prop-2-enyl-1,3-thiazol-3-ium-2-amine
CID 853554
1,3-Thiazol-2-ylsulfamic acid
CID 231063
2-(Sulfinatoamino)-1,3-thiazole
CID 57139139
1-fluoro-N-(1,3-thiazol-2-yl)methanesulfonamide
CID 88366557
5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)hexa-2,4-diene-3-sulfonamide
CID 123940985
1,1,1-trifluoro-N-(1,3-thiazol-2-yl)methanesulfonamide
CID 154088017
3-[Methyl(1,3-thiazol-2-yl)sulfamoyl]propane-1-sulfonyl fluoride
CID 99792847
11-Dioxo-N-(13-thiazol-2-YL)-1lambda6-thiolane-3-sulfonamide
CID 16958018
N-(1,3-thiazol-2-yl)methanesulfonamide
CID 3532089
2-amino-N-(1,3-thiazol-2-yl)ethanesulfonamide
CID 16784506

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)buta-1,3-diene-2-sulfonamide?
The IUPAC name of N-(1,3-thiazol-2-yl)buta-1,3-diene-2-sulfonamide (CID 123778595) is N-(1,3-thiazol-2-yl)buta-1,3-diene-2-sulfonamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)buta-1,3-diene-2-sulfonamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)buta-1,3-diene-2-sulfonamide is C=CC(=C)S(=O)(=O)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)buta-1,3-diene-2-sulfonamide?
The InChIKey is PPCWNXFNWWUDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S2/c1-3-6(2)13(10,11)9-7-8-4-5-12-7/h3-5H,1-2H2,(H,8,9).
What are the key properties of N-(1,3-thiazol-2-yl)buta-1,3-diene-2-sulfonamide?
N-(1,3-thiazol-2-yl)buta-1,3-diene-2-sulfonamide has a molecular weight of 216.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)buta-1,3-diene-2-sulfonamide is sourced from PubChem (CID 123778595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).