N-(1-benzothiophen-3-ylmethyl)-3-fluorobenzenesulfonamide

C15H12FNO2S2 — CID 4995927

IUPACN-(1-benzothiophen-3-ylmethyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1csc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C15H12FNO2S2/c16-12-4-3-5-13(8-12)21(18,19)17-9-11-10-20-15-7-2-1-6-14(11)15/h1-8,10,17H,9H2
InChIKeyJXXHBKYZMOOJNU-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.52
Rot. Bonds4

About N-(1-benzothiophen-3-ylmethyl)-3-fluorobenzenesulfonamide

N-(1-benzothiophen-3-ylmethyl)-3-fluorobenzenesulfonamide (PubChem CID 4995927) has the molecular formula C15H12FNO2S2 and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-3-fluorobenzenesulfonamide
PubChem CID4995927
Molecular FormulaC15H12FNO2S2
Molecular Weight321.40 g/mol
Exact Mass321.03
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1csc2ccccc12)c1cccc(F)c1
InChIInChI=1S/C15H12FNO2S2/c16-12-4-3-5-13(8-12)21(18,19)17-9-11-10-20-15-7-2-1-6-14(11)15/h1-8,10,17H,9H2
InChIKeyJXXHBKYZMOOJNU-UHFFFAOYSA-N
XLogP3.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-3-fluorobenzenesulfonamide (CID 4995927) is N-(1-benzothiophen-3-ylmethyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-3-fluorobenzenesulfonamide is O=S(=O)(NCc1csc2ccccc12)c1cccc(F)c1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-3-fluorobenzenesulfonamide?
The InChIKey is JXXHBKYZMOOJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2S2/c16-12-4-3-5-13(8-12)21(18,19)17-9-11-10-20-15-7-2-1-6-14(11)15/h1-8,10,17H,9H2.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-3-fluorobenzenesulfonamide?
N-(1-benzothiophen-3-ylmethyl)-3-fluorobenzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 4995927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).