N-(1-benzothiophen-7-yl)-2-(4-fluorophenoxy)ethanesulfonamide

C16H14FNO3S2 — CID 167883293

IUPACN-(1-benzothiophen-7-yl)-2-(4-fluorophenoxy)ethanesulfonamide
SMILESO=S(=O)(CCOc1ccc(F)cc1)Nc1cccc2ccsc12
InChIInChI=1S/C16H14FNO3S2/c17-13-4-6-14(7-5-13)21-9-11-23(19,20)18-15-3-1-2-12-8-10-22-16(12)15/h1-8,10,18H,9,11H2
InChIKeyRPJGVLSRPRKGRO-UHFFFAOYSA-N
MW351.42 g/mol
LogP3.86
Rot. Bonds6

About N-(1-benzothiophen-7-yl)-2-(4-fluorophenoxy)ethanesulfonamide

N-(1-benzothiophen-7-yl)-2-(4-fluorophenoxy)ethanesulfonamide (PubChem CID 167883293) has the molecular formula C16H14FNO3S2 and a molecular weight of 351.42 g/mol. Its IUPAC name is N-(1-benzothiophen-7-yl)-2-(4-fluorophenoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-7-yl)-2-(4-fluorophenoxy)ethanesulfonamide
PubChem CID167883293
Molecular FormulaC16H14FNO3S2
Molecular Weight351.42 g/mol
Exact Mass351.04
IUPAC NameN-(1-benzothiophen-7-yl)-2-(4-fluorophenoxy)ethanesulfonamide
SMILESO=S(=O)(CCOc1ccc(F)cc1)Nc1cccc2ccsc12
InChIInChI=1S/C16H14FNO3S2/c17-13-4-6-14(7-5-13)21-9-11-23(19,20)18-15-3-1-2-12-8-10-22-16(12)15/h1-8,10,18H,9,11H2
InChIKeyRPJGVLSRPRKGRO-UHFFFAOYSA-N
XLogP3.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-7-yl)-2-(4-fluorophenoxy)ethanesulfonamide?
The IUPAC name of N-(1-benzothiophen-7-yl)-2-(4-fluorophenoxy)ethanesulfonamide (CID 167883293) is N-(1-benzothiophen-7-yl)-2-(4-fluorophenoxy)ethanesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-7-yl)-2-(4-fluorophenoxy)ethanesulfonamide?
The canonical SMILES for N-(1-benzothiophen-7-yl)-2-(4-fluorophenoxy)ethanesulfonamide is O=S(=O)(CCOc1ccc(F)cc1)Nc1cccc2ccsc12.
What is the InChIKey of N-(1-benzothiophen-7-yl)-2-(4-fluorophenoxy)ethanesulfonamide?
The InChIKey is RPJGVLSRPRKGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3S2/c17-13-4-6-14(7-5-13)21-9-11-23(19,20)18-15-3-1-2-12-8-10-22-16(12)15/h1-8,10,18H,9,11H2.
What are the key properties of N-(1-benzothiophen-7-yl)-2-(4-fluorophenoxy)ethanesulfonamide?
N-(1-benzothiophen-7-yl)-2-(4-fluorophenoxy)ethanesulfonamide has a molecular weight of 351.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-7-yl)-2-(4-fluorophenoxy)ethanesulfonamide is sourced from PubChem (CID 167883293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).