2-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide

C6H6ClF3N2O2S2 — CID 63226947

IUPAC2-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCCC(F)(F)F)c1cnc(Cl)s1
InChIInChI=1S/C6H6ClF3N2O2S2/c7-5-11-3-4(15-5)16(13,14)12-2-1-6(8,9)10/h3,12H,1-2H2
InChIKeyGMIDHUGWUUKUMS-UHFFFAOYSA-N
MW294.71 g/mol
LogP2.03
Rot. Bonds4

About 2-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide (PubChem CID 63226947) has the molecular formula C6H6ClF3N2O2S2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide
PubChem CID63226947
Molecular FormulaC6H6ClF3N2O2S2
Molecular Weight294.71 g/mol
Exact Mass293.95
IUPAC Name2-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCCC(F)(F)F)c1cnc(Cl)s1
InChIInChI=1S/C6H6ClF3N2O2S2/c7-5-11-3-4(15-5)16(13,14)12-2-1-6(8,9)10/h3,12H,1-2H2
InChIKeyGMIDHUGWUUKUMS-UHFFFAOYSA-N
XLogP2.03
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide (CID 63226947) is 2-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide is O=S(=O)(NCCC(F)(F)F)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is GMIDHUGWUUKUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3N2O2S2/c7-5-11-3-4(15-5)16(13,14)12-2-1-6(8,9)10/h3,12H,1-2H2.
What are the key properties of 2-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 294.71 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63226947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).