N-(3-acetylphenyl)-3-chloro-4-fluorobenzenesulfonamide

C14H11ClFNO3S — CID 889919

IUPACN-(3-acetylphenyl)-3-chloro-4-fluorobenzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C14H11ClFNO3S/c1-9(18)10-3-2-4-11(7-10)17-21(19,20)12-5-6-14(16)13(15)8-12/h2-8,17H,1H3
InChIKeyCJVKMVMTOGAXFW-UHFFFAOYSA-N
MW327.76 g/mol
LogP3.48
Rot. Bonds4

About N-(3-acetylphenyl)-3-chloro-4-fluorobenzenesulfonamide

N-(3-acetylphenyl)-3-chloro-4-fluorobenzenesulfonamide (PubChem CID 889919) has the molecular formula C14H11ClFNO3S and a molecular weight of 327.76 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-chloro-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-chloro-4-fluorobenzenesulfonamide
PubChem CID889919
Molecular FormulaC14H11ClFNO3S
Molecular Weight327.76 g/mol
Exact Mass327.01
IUPAC NameN-(3-acetylphenyl)-3-chloro-4-fluorobenzenesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C14H11ClFNO3S/c1-9(18)10-3-2-4-11(7-10)17-21(19,20)12-5-6-14(16)13(15)8-12/h2-8,17H,1H3
InChIKeyCJVKMVMTOGAXFW-UHFFFAOYSA-N
XLogP3.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-chloro-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3-acetylphenyl)-3-chloro-4-fluorobenzenesulfonamide (CID 889919) is N-(3-acetylphenyl)-3-chloro-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-chloro-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-3-chloro-4-fluorobenzenesulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-chloro-4-fluorobenzenesulfonamide?
The InChIKey is CJVKMVMTOGAXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3S/c1-9(18)10-3-2-4-11(7-10)17-21(19,20)12-5-6-14(16)13(15)8-12/h2-8,17H,1H3.
What are the key properties of N-(3-acetylphenyl)-3-chloro-4-fluorobenzenesulfonamide?
N-(3-acetylphenyl)-3-chloro-4-fluorobenzenesulfonamide has a molecular weight of 327.76 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-chloro-4-fluorobenzenesulfonamide is sourced from PubChem (CID 889919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).