5-chloro-N-(3,4,4-trifluorobut-3-enyl)-1,3-thiazole-2-sulfonamide

C7H6ClF3N2O2S2 — CID 70132837

IUPAC5-chloro-N-(3,4,4-trifluorobut-3-enyl)-1,3-thiazole-2-sulfonamide
SMILESO=S(=O)(NCCC(F)=C(F)F)c1ncc(Cl)s1
InChIInChI=1S/C7H6ClF3N2O2S2/c8-5-3-12-7(16-5)17(14,15)13-2-1-4(9)6(10)11/h3,13H,1-2H2
InChIKeyTXDNAVDFEHBJAB-UHFFFAOYSA-N
MW306.72 g/mol
LogP2.54
Rot. Bonds5

About 5-chloro-N-(3,4,4-trifluorobut-3-enyl)-1,3-thiazole-2-sulfonamide

5-chloro-N-(3,4,4-trifluorobut-3-enyl)-1,3-thiazole-2-sulfonamide (PubChem CID 70132837) has the molecular formula C7H6ClF3N2O2S2 and a molecular weight of 306.72 g/mol. Its IUPAC name is 5-chloro-N-(3,4,4-trifluorobut-3-enyl)-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3,4,4-trifluorobut-3-enyl)-1,3-thiazole-2-sulfonamide
PubChem CID70132837
Molecular FormulaC7H6ClF3N2O2S2
Molecular Weight306.72 g/mol
Exact Mass305.95
IUPAC Name5-chloro-N-(3,4,4-trifluorobut-3-enyl)-1,3-thiazole-2-sulfonamide
SMILESO=S(=O)(NCCC(F)=C(F)F)c1ncc(Cl)s1
InChIInChI=1S/C7H6ClF3N2O2S2/c8-5-3-12-7(16-5)17(14,15)13-2-1-4(9)6(10)11/h3,13H,1-2H2
InChIKeyTXDNAVDFEHBJAB-UHFFFAOYSA-N
XLogP2.54
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,4,4-trifluorobut-3-enyl)-1,3-thiazole-2-sulfonamide?
The IUPAC name of 5-chloro-N-(3,4,4-trifluorobut-3-enyl)-1,3-thiazole-2-sulfonamide (CID 70132837) is 5-chloro-N-(3,4,4-trifluorobut-3-enyl)-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3,4,4-trifluorobut-3-enyl)-1,3-thiazole-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(3,4,4-trifluorobut-3-enyl)-1,3-thiazole-2-sulfonamide is O=S(=O)(NCCC(F)=C(F)F)c1ncc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3,4,4-trifluorobut-3-enyl)-1,3-thiazole-2-sulfonamide?
The InChIKey is TXDNAVDFEHBJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O2S2/c8-5-3-12-7(16-5)17(14,15)13-2-1-4(9)6(10)11/h3,13H,1-2H2.
What are the key properties of 5-chloro-N-(3,4,4-trifluorobut-3-enyl)-1,3-thiazole-2-sulfonamide?
5-chloro-N-(3,4,4-trifluorobut-3-enyl)-1,3-thiazole-2-sulfonamide has a molecular weight of 306.72 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,4,4-trifluorobut-3-enyl)-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 70132837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).