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

C10H5Cl2F3N2O2S2 — CID 43455835

IUPAC2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1cnc(Cl)s1
InChIInChI=1S/C10H5Cl2F3N2O2S2/c11-6-2-1-5(10(13,14)15)3-7(6)17-21(18,19)8-4-16-9(12)20-8/h1-4,17H
InChIKeyOITYUAZLUKBYTK-UHFFFAOYSA-N
MW377.20 g/mol
LogP4.27
Rot. Bonds3

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

2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide (PubChem CID 43455835) has the molecular formula C10H5Cl2F3N2O2S2 and a molecular weight of 377.20 g/mol. Its IUPAC name is 2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
PubChem CID43455835
Molecular FormulaC10H5Cl2F3N2O2S2
Molecular Weight377.20 g/mol
Exact Mass375.91
IUPAC Name2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1cnc(Cl)s1
InChIInChI=1S/C10H5Cl2F3N2O2S2/c11-6-2-1-5(10(13,14)15)3-7(6)17-21(18,19)8-4-16-9(12)20-8/h1-4,17H
InChIKeyOITYUAZLUKBYTK-UHFFFAOYSA-N
XLogP4.27
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide (CID 43455835) is 2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide is O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1cnc(Cl)s1.
What is the InChIKey of 2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is OITYUAZLUKBYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F3N2O2S2/c11-6-2-1-5(10(13,14)15)3-7(6)17-21(18,19)8-4-16-9(12)20-8/h1-4,17H.
What are the key properties of 2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide?
2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 377.20 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43455835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).