3-chloro-N-[2-(2-fluorophenyl)-2-oxoethyl]benzenesulfonamide

C14H11ClFNO3S — CID 167534705

IUPAC3-chloro-N-[2-(2-fluorophenyl)-2-oxoethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1F
InChIInChI=1S/C14H11ClFNO3S/c15-10-4-3-5-11(8-10)21(19,20)17-9-14(18)12-6-1-2-7-13(12)16/h1-8,17H,9H2
InChIKeyQXTISKNUOJLZTE-UHFFFAOYSA-N
MW327.76 g/mol
LogP2.64
Rot. Bonds5

About 3-chloro-N-[2-(2-fluorophenyl)-2-oxoethyl]benzenesulfonamide

3-chloro-N-[2-(2-fluorophenyl)-2-oxoethyl]benzenesulfonamide (PubChem CID 167534705) has the molecular formula C14H11ClFNO3S and a molecular weight of 327.76 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-fluorophenyl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-fluorophenyl)-2-oxoethyl]benzenesulfonamide
PubChem CID167534705
Molecular FormulaC14H11ClFNO3S
Molecular Weight327.76 g/mol
Exact Mass327.01
IUPAC Name3-chloro-N-[2-(2-fluorophenyl)-2-oxoethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1F
InChIInChI=1S/C14H11ClFNO3S/c15-10-4-3-5-11(8-10)21(19,20)17-9-14(18)12-6-1-2-7-13(12)16/h1-8,17H,9H2
InChIKeyQXTISKNUOJLZTE-UHFFFAOYSA-N
XLogP2.64
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-fluorophenyl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(2-fluorophenyl)-2-oxoethyl]benzenesulfonamide (CID 167534705) is 3-chloro-N-[2-(2-fluorophenyl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(2-fluorophenyl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(2-fluorophenyl)-2-oxoethyl]benzenesulfonamide is O=C(CNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1F.
What is the InChIKey of 3-chloro-N-[2-(2-fluorophenyl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is QXTISKNUOJLZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3S/c15-10-4-3-5-11(8-10)21(19,20)17-9-14(18)12-6-1-2-7-13(12)16/h1-8,17H,9H2.
What are the key properties of 3-chloro-N-[2-(2-fluorophenyl)-2-oxoethyl]benzenesulfonamide?
3-chloro-N-[2-(2-fluorophenyl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 327.76 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-fluorophenyl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 167534705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).