N-(3-chlorophenyl)-3-fluorobenzenesulfonamide

C12H9ClFNO2S — CID 889823

IUPACN-(3-chlorophenyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C12H9ClFNO2S/c13-9-3-1-5-11(7-9)15-18(16,17)12-6-2-4-10(14)8-12/h1-8,15H
InChIKeySBTDUQIXIKKEBN-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.28
Rot. Bonds3

About N-(3-chlorophenyl)-3-fluorobenzenesulfonamide

N-(3-chlorophenyl)-3-fluorobenzenesulfonamide (PubChem CID 889823) has the molecular formula C12H9ClFNO2S and a molecular weight of 285.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-fluorobenzenesulfonamide
PubChem CID889823
Molecular FormulaC12H9ClFNO2S
Molecular Weight285.73 g/mol
Exact Mass285.00
IUPAC NameN-(3-chlorophenyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1)c1cccc(F)c1
InChIInChI=1S/C12H9ClFNO2S/c13-9-3-1-5-11(7-9)15-18(16,17)12-6-2-4-10(14)8-12/h1-8,15H
InChIKeySBTDUQIXIKKEBN-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-3-fluorobenzenesulfonamide (CID 889823) is N-(3-chlorophenyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-3-fluorobenzenesulfonamide is O=S(=O)(Nc1cccc(Cl)c1)c1cccc(F)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-fluorobenzenesulfonamide?
The InChIKey is SBTDUQIXIKKEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO2S/c13-9-3-1-5-11(7-9)15-18(16,17)12-6-2-4-10(14)8-12/h1-8,15H.
What are the key properties of N-(3-chlorophenyl)-3-fluorobenzenesulfonamide?
N-(3-chlorophenyl)-3-fluorobenzenesulfonamide has a molecular weight of 285.73 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 889823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).