2-chloro-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide

C10H6ClF3N2O2S2 — CID 43455853

IUPAC2-chloro-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cnc(Cl)s1
InChIInChI=1S/C10H6ClF3N2O2S2/c11-9-15-5-8(19-9)20(17,18)16-7-3-1-2-6(4-7)10(12,13)14/h1-5,16H
InChIKeyFZHYLRCWPAPZMC-UHFFFAOYSA-N
MW342.75 g/mol
LogP3.62
Rot. Bonds3

About 2-chloro-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide

2-chloro-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide (PubChem CID 43455853) has the molecular formula C10H6ClF3N2O2S2 and a molecular weight of 342.75 g/mol. Its IUPAC name is 2-chloro-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
PubChem CID43455853
Molecular FormulaC10H6ClF3N2O2S2
Molecular Weight342.75 g/mol
Exact Mass341.95
IUPAC Name2-chloro-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cnc(Cl)s1
InChIInChI=1S/C10H6ClF3N2O2S2/c11-9-15-5-8(19-9)20(17,18)16-7-3-1-2-6(4-7)10(12,13)14/h1-5,16H
InChIKeyFZHYLRCWPAPZMC-UHFFFAOYSA-N
XLogP3.62
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.75
LogP ≤ 53.62
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-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide (CID 43455853) is 2-chloro-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide is O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is FZHYLRCWPAPZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2O2S2/c11-9-15-5-8(19-9)20(17,18)16-7-3-1-2-6(4-7)10(12,13)14/h1-5,16H.
What are the key properties of 2-chloro-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 342.75 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).