methyl N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]carbamate

C14H14FNO4S2 — CID 110406606

IUPACmethyl N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]carbamate
SMILESCOC(=O)NCC(c1ccc(F)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H14FNO4S2/c1-20-14(17)16-9-12(10-4-6-11(15)7-5-10)22(18,19)13-3-2-8-21-13/h2-8,12H,9H2,1H3,(H,16,17)
InChIKeyCHZWZLDSZOGHBX-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.76
Rot. Bonds5

About methyl N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]carbamate

methyl N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]carbamate (PubChem CID 110406606) has the molecular formula C14H14FNO4S2 and a molecular weight of 343.40 g/mol. Its IUPAC name is methyl N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]carbamate
PubChem CID110406606
Molecular FormulaC14H14FNO4S2
Molecular Weight343.40 g/mol
Exact Mass343.03
IUPAC Namemethyl N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]carbamate
SMILESCOC(=O)NCC(c1ccc(F)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H14FNO4S2/c1-20-14(17)16-9-12(10-4-6-11(15)7-5-10)22(18,19)13-3-2-8-21-13/h2-8,12H,9H2,1H3,(H,16,17)
InChIKeyCHZWZLDSZOGHBX-UHFFFAOYSA-N
XLogP2.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]carbamate?
The IUPAC name of methyl N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]carbamate (CID 110406606) is methyl N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]carbamate.
What is the SMILES notation for methyl N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]carbamate?
The canonical SMILES for methyl N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]carbamate is COC(=O)NCC(c1ccc(F)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of methyl N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]carbamate?
The InChIKey is CHZWZLDSZOGHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4S2/c1-20-14(17)16-9-12(10-4-6-11(15)7-5-10)22(18,19)13-3-2-8-21-13/h2-8,12H,9H2,1H3,(H,16,17).
What are the key properties of methyl N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]carbamate?
methyl N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]carbamate has a molecular weight of 343.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]carbamate is sourced from PubChem (CID 110406606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).