2-[2-(fluoromethyl)-1,3-dioxolan-2-yl]thiophene-3-sulfonamide

C8H10FNO4S2 — CID 67814668

IUPAC2-[2-(fluoromethyl)-1,3-dioxolan-2-yl]thiophene-3-sulfonamide
SMILESNS(=O)(=O)c1ccsc1C1(CF)OCCO1
InChIInChI=1S/C8H10FNO4S2/c9-5-8(13-2-3-14-8)7-6(1-4-15-7)16(10,11)12/h1,4H,2-3,5H2,(H2,10,11,12)
InChIKeyVCNIIRXJALMSTD-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.56
Rot. Bonds3

About 2-[2-(fluoromethyl)-1,3-dioxolan-2-yl]thiophene-3-sulfonamide

2-[2-(fluoromethyl)-1,3-dioxolan-2-yl]thiophene-3-sulfonamide (PubChem CID 67814668) has the molecular formula C8H10FNO4S2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)-1,3-dioxolan-2-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[2-(fluoromethyl)-1,3-dioxolan-2-yl]thiophene-3-sulfonamide
PubChem CID67814668
Molecular FormulaC8H10FNO4S2
Molecular Weight267.30 g/mol
Exact Mass267.00
IUPAC Name2-[2-(fluoromethyl)-1,3-dioxolan-2-yl]thiophene-3-sulfonamide
SMILESNS(=O)(=O)c1ccsc1C1(CF)OCCO1
InChIInChI=1S/C8H10FNO4S2/c9-5-8(13-2-3-14-8)7-6(1-4-15-7)16(10,11)12/h1,4H,2-3,5H2,(H2,10,11,12)
InChIKeyVCNIIRXJALMSTD-UHFFFAOYSA-N
XLogP0.56
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)-1,3-dioxolan-2-yl]thiophene-3-sulfonamide?
The IUPAC name of 2-[2-(fluoromethyl)-1,3-dioxolan-2-yl]thiophene-3-sulfonamide (CID 67814668) is 2-[2-(fluoromethyl)-1,3-dioxolan-2-yl]thiophene-3-sulfonamide.
What is the SMILES notation for 2-[2-(fluoromethyl)-1,3-dioxolan-2-yl]thiophene-3-sulfonamide?
The canonical SMILES for 2-[2-(fluoromethyl)-1,3-dioxolan-2-yl]thiophene-3-sulfonamide is NS(=O)(=O)c1ccsc1C1(CF)OCCO1.
What is the InChIKey of 2-[2-(fluoromethyl)-1,3-dioxolan-2-yl]thiophene-3-sulfonamide?
The InChIKey is VCNIIRXJALMSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO4S2/c9-5-8(13-2-3-14-8)7-6(1-4-15-7)16(10,11)12/h1,4H,2-3,5H2,(H2,10,11,12).
What are the key properties of 2-[2-(fluoromethyl)-1,3-dioxolan-2-yl]thiophene-3-sulfonamide?
2-[2-(fluoromethyl)-1,3-dioxolan-2-yl]thiophene-3-sulfonamide has a molecular weight of 267.30 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)-1,3-dioxolan-2-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 67814668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).