[3-[(2,4-difluorophenyl)sulfonylamino]-5-(4-fluorophenyl)thiophen-2-yl] hydrogen carbonate

C17H10F3NO5S2 — CID 68798082

IUPAC[3-[(2,4-difluorophenyl)sulfonylamino]-5-(4-fluorophenyl)thiophen-2-yl] hydrogen carbonate
SMILESO=C(O)Oc1sc(-c2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H10F3NO5S2/c18-10-3-1-9(2-4-10)14-8-13(16(27-14)26-17(22)23)21-28(24,25)15-6-5-11(19)7-12(15)20/h1-8,21H,(H,22,23)
InChIKeyWXFFOOIIEVVMSK-UHFFFAOYSA-N
MW429.40 g/mol
LogP4.69
Rot. Bonds5

About [3-[(2,4-difluorophenyl)sulfonylamino]-5-(4-fluorophenyl)thiophen-2-yl] hydrogen carbonate

[3-[(2,4-difluorophenyl)sulfonylamino]-5-(4-fluorophenyl)thiophen-2-yl] hydrogen carbonate (PubChem CID 68798082) has the molecular formula C17H10F3NO5S2 and a molecular weight of 429.40 g/mol. Its IUPAC name is [3-[(2,4-difluorophenyl)sulfonylamino]-5-(4-fluorophenyl)thiophen-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[3-[(2,4-difluorophenyl)sulfonylamino]-5-(4-fluorophenyl)thiophen-2-yl] hydrogen carbonate
PubChem CID68798082
Molecular FormulaC17H10F3NO5S2
Molecular Weight429.40 g/mol
Exact Mass429.00
IUPAC Name[3-[(2,4-difluorophenyl)sulfonylamino]-5-(4-fluorophenyl)thiophen-2-yl] hydrogen carbonate
SMILESO=C(O)Oc1sc(-c2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H10F3NO5S2/c18-10-3-1-9(2-4-10)14-8-13(16(27-14)26-17(22)23)21-28(24,25)15-6-5-11(19)7-12(15)20/h1-8,21H,(H,22,23)
InChIKeyWXFFOOIIEVVMSK-UHFFFAOYSA-N
XLogP4.69
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-[(2,4-difluorophenyl)sulfonylamino]-5-(4-fluorophenyl)thiophen-2-yl] hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[(2,4-difluorophenyl)sulfonylamino]-5-(4-fluorophenyl)thiophen-2-yl] hydrogen carbonate?
The IUPAC name of [3-[(2,4-difluorophenyl)sulfonylamino]-5-(4-fluorophenyl)thiophen-2-yl] hydrogen carbonate (CID 68798082) is [3-[(2,4-difluorophenyl)sulfonylamino]-5-(4-fluorophenyl)thiophen-2-yl] hydrogen carbonate.
What is the SMILES notation for [3-[(2,4-difluorophenyl)sulfonylamino]-5-(4-fluorophenyl)thiophen-2-yl] hydrogen carbonate?
The canonical SMILES for [3-[(2,4-difluorophenyl)sulfonylamino]-5-(4-fluorophenyl)thiophen-2-yl] hydrogen carbonate is O=C(O)Oc1sc(-c2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of [3-[(2,4-difluorophenyl)sulfonylamino]-5-(4-fluorophenyl)thiophen-2-yl] hydrogen carbonate?
The InChIKey is WXFFOOIIEVVMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO5S2/c18-10-3-1-9(2-4-10)14-8-13(16(27-14)26-17(22)23)21-28(24,25)15-6-5-11(19)7-12(15)20/h1-8,21H,(H,22,23).
What are the key properties of [3-[(2,4-difluorophenyl)sulfonylamino]-5-(4-fluorophenyl)thiophen-2-yl] hydrogen carbonate?
[3-[(2,4-difluorophenyl)sulfonylamino]-5-(4-fluorophenyl)thiophen-2-yl] hydrogen carbonate has a molecular weight of 429.40 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4-difluorophenyl)sulfonylamino]-5-(4-fluorophenyl)thiophen-2-yl] hydrogen carbonate is sourced from PubChem (CID 68798082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).