5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid

C11H6ClF3N2O4S2 — CID 86567417

IUPAC5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H6ClF3N2O4S2/c12-6-2-1-5(11(13,14)15)3-7(6)23(20,21)17-9-8(10(18)19)16-4-22-9/h1-4,17H,(H,18,19)
InChIKeyHGRZJJVPNHCKTC-UHFFFAOYSA-N
MW386.76 g/mol
LogP3.31
Rot. Bonds4

About 5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid

5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 86567417) has the molecular formula C11H6ClF3N2O4S2 and a molecular weight of 386.76 g/mol. Its IUPAC name is 5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID86567417
Molecular FormulaC11H6ClF3N2O4S2
Molecular Weight386.76 g/mol
Exact Mass385.94
IUPAC Name5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H6ClF3N2O4S2/c12-6-2-1-5(11(13,14)15)3-7(6)23(20,21)17-9-8(10(18)19)16-4-22-9/h1-4,17H,(H,18,19)
InChIKeyHGRZJJVPNHCKTC-UHFFFAOYSA-N
XLogP3.31
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.76
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid (CID 86567417) is 5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is HGRZJJVPNHCKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O4S2/c12-6-2-1-5(11(13,14)15)3-7(6)23(20,21)17-9-8(10(18)19)16-4-22-9/h1-4,17H,(H,18,19).
What are the key properties of 5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 386.76 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 86567417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).