2-[[5-[3-(difluoromethyl)-2,4-difluorophenyl]thiophen-2-yl]sulfonylamino]acetic acid

C13H9F4NO4S2 — CID 167780711

IUPAC2-[[5-[3-(difluoromethyl)-2,4-difluorophenyl]thiophen-2-yl]sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(-c2ccc(F)c(C(F)F)c2F)s1
InChIInChI=1S/C13H9F4NO4S2/c14-7-2-1-6(12(15)11(7)13(16)17)8-3-4-10(23-8)24(21,22)18-5-9(19)20/h1-4,13,18H,5H2,(H,19,20)
InChIKeyADMDNEOBAGQOJV-UHFFFAOYSA-N
MW383.34 g/mol
LogP2.99
Rot. Bonds6

About 2-[[5-[3-(difluoromethyl)-2,4-difluorophenyl]thiophen-2-yl]sulfonylamino]acetic acid

2-[[5-[3-(difluoromethyl)-2,4-difluorophenyl]thiophen-2-yl]sulfonylamino]acetic acid (PubChem CID 167780711) has the molecular formula C13H9F4NO4S2 and a molecular weight of 383.34 g/mol. Its IUPAC name is 2-[[5-[3-(difluoromethyl)-2,4-difluorophenyl]thiophen-2-yl]sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-[3-(difluoromethyl)-2,4-difluorophenyl]thiophen-2-yl]sulfonylamino]acetic acid
PubChem CID167780711
Molecular FormulaC13H9F4NO4S2
Molecular Weight383.34 g/mol
Exact Mass382.99
IUPAC Name2-[[5-[3-(difluoromethyl)-2,4-difluorophenyl]thiophen-2-yl]sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(-c2ccc(F)c(C(F)F)c2F)s1
InChIInChI=1S/C13H9F4NO4S2/c14-7-2-1-6(12(15)11(7)13(16)17)8-3-4-10(23-8)24(21,22)18-5-9(19)20/h1-4,13,18H,5H2,(H,19,20)
InChIKeyADMDNEOBAGQOJV-UHFFFAOYSA-N
XLogP2.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[3-(difluoromethyl)-2,4-difluorophenyl]thiophen-2-yl]sulfonylamino]acetic acid?
The IUPAC name of 2-[[5-[3-(difluoromethyl)-2,4-difluorophenyl]thiophen-2-yl]sulfonylamino]acetic acid (CID 167780711) is 2-[[5-[3-(difluoromethyl)-2,4-difluorophenyl]thiophen-2-yl]sulfonylamino]acetic acid.
What is the SMILES notation for 2-[[5-[3-(difluoromethyl)-2,4-difluorophenyl]thiophen-2-yl]sulfonylamino]acetic acid?
The canonical SMILES for 2-[[5-[3-(difluoromethyl)-2,4-difluorophenyl]thiophen-2-yl]sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)c1ccc(-c2ccc(F)c(C(F)F)c2F)s1.
What is the InChIKey of 2-[[5-[3-(difluoromethyl)-2,4-difluorophenyl]thiophen-2-yl]sulfonylamino]acetic acid?
The InChIKey is ADMDNEOBAGQOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO4S2/c14-7-2-1-6(12(15)11(7)13(16)17)8-3-4-10(23-8)24(21,22)18-5-9(19)20/h1-4,13,18H,5H2,(H,19,20).
What are the key properties of 2-[[5-[3-(difluoromethyl)-2,4-difluorophenyl]thiophen-2-yl]sulfonylamino]acetic acid?
2-[[5-[3-(difluoromethyl)-2,4-difluorophenyl]thiophen-2-yl]sulfonylamino]acetic acid has a molecular weight of 383.34 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[3-(difluoromethyl)-2,4-difluorophenyl]thiophen-2-yl]sulfonylamino]acetic acid is sourced from PubChem (CID 167780711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).