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

C17H11F2NO5S2 — CID 68797892

IUPAC[3-[(3,4-difluorophenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
SMILESO=C(O)Oc1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H11F2NO5S2/c18-12-7-6-11(8-13(12)19)27(23,24)20-14-9-15(10-4-2-1-3-5-10)26-16(14)25-17(21)22/h1-9,20H,(H,21,22)
InChIKeyUHTKLDVAZBEPEE-UHFFFAOYSA-N
MW411.41 g/mol
LogP4.55
Rot. Bonds5

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

[3-[(3,4-difluorophenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate (PubChem CID 68797892) has the molecular formula C17H11F2NO5S2 and a molecular weight of 411.41 g/mol. Its IUPAC name is [3-[(3,4-difluorophenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[3-[(3,4-difluorophenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
PubChem CID68797892
Molecular FormulaC17H11F2NO5S2
Molecular Weight411.41 g/mol
Exact Mass411.00
IUPAC Name[3-[(3,4-difluorophenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate
SMILESO=C(O)Oc1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H11F2NO5S2/c18-12-7-6-11(8-13(12)19)27(23,24)20-14-9-15(10-4-2-1-3-5-10)26-16(14)25-17(21)22/h1-9,20H,(H,21,22)
InChIKeyUHTKLDVAZBEPEE-UHFFFAOYSA-N
XLogP4.55
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(3,4-difluorophenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate?
The IUPAC name of [3-[(3,4-difluorophenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate (CID 68797892) is [3-[(3,4-difluorophenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate.
What is the SMILES notation for [3-[(3,4-difluorophenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate?
The canonical SMILES for [3-[(3,4-difluorophenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate is O=C(O)Oc1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of [3-[(3,4-difluorophenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate?
The InChIKey is UHTKLDVAZBEPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO5S2/c18-12-7-6-11(8-13(12)19)27(23,24)20-14-9-15(10-4-2-1-3-5-10)26-16(14)25-17(21)22/h1-9,20H,(H,21,22).
What are the key properties of [3-[(3,4-difluorophenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate?
[3-[(3,4-difluorophenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate has a molecular weight of 411.41 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,4-difluorophenyl)sulfonylamino]-5-phenylthiophen-2-yl] hydrogen carbonate is sourced from PubChem (CID 68797892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).