N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide

C13H11ClFNO2S — CID 3752569

IUPACN-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C13H11ClFNO2S/c14-12-8-10(6-7-13(12)15)9-16-19(17,18)11-4-2-1-3-5-11/h1-8,16H,9H2
InChIKeyYZVFNTZWTROJNC-UHFFFAOYSA-N
MW299.75 g/mol
LogP2.96
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide

N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 3752569) has the molecular formula C13H11ClFNO2S and a molecular weight of 299.75 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
PubChem CID3752569
Molecular FormulaC13H11ClFNO2S
Molecular Weight299.75 g/mol
Exact Mass299.02
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C13H11ClFNO2S/c14-12-8-10(6-7-13(12)15)9-16-19(17,18)11-4-2-1-3-5-11/h1-8,16H,9H2
InChIKeyYZVFNTZWTROJNC-UHFFFAOYSA-N
XLogP2.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-2-fluorobenzenesulfonamide
CID 62537779
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-5-fluorobenzenesulfonamide
CID 63322498
3-amino-4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 62539057
4-amino-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 115330027
3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 24581072
N-[[4-fluoro-3-(methoxymethyl)phenyl]methyl]benzenesulfonamide
CID 166198120
5-[(3-chloro-4-fluorophenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62539404
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 18131225
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide (CID 3752569) is N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(F)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is YZVFNTZWTROJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO2S/c14-12-8-10(6-7-13(12)15)9-16-19(17,18)11-4-2-1-3-5-11/h1-8,16H,9H2.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide?
N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 299.75 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 3752569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).