3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide

C13H10Cl2FNO2S — CID 5183211

IUPAC3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2FNO2S/c14-12-6-5-11(7-13(12)15)20(18,19)17-8-9-1-3-10(16)4-2-9/h1-7,17H,8H2
InChIKeyJJRYXTWLYFYHCS-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.61
Rot. Bonds4

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

3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 5183211) has the molecular formula C13H10Cl2FNO2S and a molecular weight of 334.20 g/mol. Its IUPAC name is 3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
PubChem CID5183211
Molecular FormulaC13H10Cl2FNO2S
Molecular Weight334.20 g/mol
Exact Mass332.98
IUPAC Name3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2FNO2S/c14-12-6-5-11(7-13(12)15)20(18,19)17-8-9-1-3-10(16)4-2-9/h1-7,17H,8H2
InChIKeyJJRYXTWLYFYHCS-UHFFFAOYSA-N
XLogP3.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 2805810
1-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 46771997
N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 3716160
3,4-dichloro-N-[[3-(chloromethyl)phenyl]methyl]benzenesulfonamide
CID 65032700
N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide
CID 39380215
4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 90990660
4-(bromomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 57017783
N-benzyl-4-fluorobenzenesulfonamide
CID 835474
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzenesulfonamide
CID 61018710
3-amino-4-bromo-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 115328602
3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide (CID 5183211) is 3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is JJRYXTWLYFYHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO2S/c14-12-6-5-11(7-13(12)15)20(18,19)17-8-9-1-3-10(16)4-2-9/h1-7,17H,8H2.
What are the key properties of 3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide?
3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 334.20 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(4-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 5183211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).