1,2-thiazol-3-yl-(2,3,4-trifluorophenyl)sulfonylcarbamic acid

C10H5F3N2O4S2 — CID 155051062

IUPAC1,2-thiazol-3-yl-(2,3,4-trifluorophenyl)sulfonylcarbamic acid
SMILESO=C(O)N(c1ccsn1)S(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C10H5F3N2O4S2/c11-5-1-2-6(9(13)8(5)12)21(18,19)15(10(16)17)7-3-4-20-14-7/h1-4H,(H,16,17)
InChIKeyUHZJHQJGEXILMN-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.43
Rot. Bonds3

About 1,2-thiazol-3-yl-(2,3,4-trifluorophenyl)sulfonylcarbamic acid

1,2-thiazol-3-yl-(2,3,4-trifluorophenyl)sulfonylcarbamic acid (PubChem CID 155051062) has the molecular formula C10H5F3N2O4S2 and a molecular weight of 338.29 g/mol. Its IUPAC name is 1,2-thiazol-3-yl-(2,3,4-trifluorophenyl)sulfonylcarbamic acid.

Molecular Properties

Compound Name1,2-thiazol-3-yl-(2,3,4-trifluorophenyl)sulfonylcarbamic acid
PubChem CID155051062
Molecular FormulaC10H5F3N2O4S2
Molecular Weight338.29 g/mol
Exact Mass337.96
IUPAC Name1,2-thiazol-3-yl-(2,3,4-trifluorophenyl)sulfonylcarbamic acid
SMILESO=C(O)N(c1ccsn1)S(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C10H5F3N2O4S2/c11-5-1-2-6(9(13)8(5)12)21(18,19)15(10(16)17)7-3-4-20-14-7/h1-4H,(H,16,17)
InChIKeyUHZJHQJGEXILMN-UHFFFAOYSA-N
XLogP2.43
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-thiazol-3-yl-(2,3,4-trifluorophenyl)sulfonylcarbamic acid?
The IUPAC name of 1,2-thiazol-3-yl-(2,3,4-trifluorophenyl)sulfonylcarbamic acid (CID 155051062) is 1,2-thiazol-3-yl-(2,3,4-trifluorophenyl)sulfonylcarbamic acid.
What is the SMILES notation for 1,2-thiazol-3-yl-(2,3,4-trifluorophenyl)sulfonylcarbamic acid?
The canonical SMILES for 1,2-thiazol-3-yl-(2,3,4-trifluorophenyl)sulfonylcarbamic acid is O=C(O)N(c1ccsn1)S(=O)(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 1,2-thiazol-3-yl-(2,3,4-trifluorophenyl)sulfonylcarbamic acid?
The InChIKey is UHZJHQJGEXILMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O4S2/c11-5-1-2-6(9(13)8(5)12)21(18,19)15(10(16)17)7-3-4-20-14-7/h1-4H,(H,16,17).
What are the key properties of 1,2-thiazol-3-yl-(2,3,4-trifluorophenyl)sulfonylcarbamic acid?
1,2-thiazol-3-yl-(2,3,4-trifluorophenyl)sulfonylcarbamic acid has a molecular weight of 338.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-thiazol-3-yl-(2,3,4-trifluorophenyl)sulfonylcarbamic acid is sourced from PubChem (CID 155051062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).