5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)hexa-2,4-diene-3-sulfonamide

C9H10ClFN2O2S2 — CID 123940985

IUPAC5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)hexa-2,4-diene-3-sulfonamide
SMILESCC(Cl)=CC(=C(C)F)S(=O)(=O)Nc1nccs1
InChIInChI=1S/C9H10ClFN2O2S2/c1-6(10)5-8(7(2)11)17(14,15)13-9-12-3-4-16-9/h3-5H,1-2H3,(H,12,13)
InChIKeyYKGRAKOBODRNKZ-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.23
Rot. Bonds4

About 5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)hexa-2,4-diene-3-sulfonamide

5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)hexa-2,4-diene-3-sulfonamide (PubChem CID 123940985) has the molecular formula C9H10ClFN2O2S2 and a molecular weight of 296.78 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)hexa-2,4-diene-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)hexa-2,4-diene-3-sulfonamide
PubChem CID123940985
Molecular FormulaC9H10ClFN2O2S2
Molecular Weight296.78 g/mol
Exact Mass295.99
IUPAC Name5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)hexa-2,4-diene-3-sulfonamide
SMILESCC(Cl)=CC(=C(C)F)S(=O)(=O)Nc1nccs1
InChIInChI=1S/C9H10ClFN2O2S2/c1-6(10)5-8(7(2)11)17(14,15)13-9-12-3-4-16-9/h3-5H,1-2H3,(H,12,13)
InChIKeyYKGRAKOBODRNKZ-UHFFFAOYSA-N
XLogP3.23
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.23
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

n-butyl-N-2-thiazolylsulfonamide
CID 9117500
1-fluoro-N-(1,3-thiazol-2-yl)methanesulfonamide
CID 88366557
N-(1,3-thiazol-2-yl)methanesulfonamide
CID 3532089
Propane-1-sulfonic acid;1,3-thiazol-2-amine
CID 20261300
N-2-Thiazolylethanesulfonamide
CID 60650347
N-(Thiazol-2-yl)propane-1-sulfonamide
CID 60650348
N-(1,3-thiazol-2-yl)propane-2-sulfonamide
CID 62999253
1-iodo-N-(1,3-thiazol-2-yl)cyclohexa-2,4-diene-1-sulfonamide
CID 87557077
4-methyl-N-(1,3-thiazol-2-yl)cyclohexa-1,5-diene-1-sulfonamide
CID 89347331
N-(1,3-thiazol-2-yl)penta-1,3-diene-3-sulfonamide
CID 91340327
N-(1,3-thiazol-2-yl)hexane-3-sulfonamide
CID 123145428
N-(1,3-thiazol-2-yl)buta-1,3-diene-2-sulfonamide
CID 123778595

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)hexa-2,4-diene-3-sulfonamide?
The IUPAC name of 5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)hexa-2,4-diene-3-sulfonamide (CID 123940985) is 5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)hexa-2,4-diene-3-sulfonamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)hexa-2,4-diene-3-sulfonamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)hexa-2,4-diene-3-sulfonamide is CC(Cl)=CC(=C(C)F)S(=O)(=O)Nc1nccs1.
What is the InChIKey of 5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)hexa-2,4-diene-3-sulfonamide?
The InChIKey is YKGRAKOBODRNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O2S2/c1-6(10)5-8(7(2)11)17(14,15)13-9-12-3-4-16-9/h3-5H,1-2H3,(H,12,13).
What are the key properties of 5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)hexa-2,4-diene-3-sulfonamide?
5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)hexa-2,4-diene-3-sulfonamide has a molecular weight of 296.78 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)hexa-2,4-diene-3-sulfonamide is sourced from PubChem (CID 123940985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).