3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide

C13H9ClF3NO2S — CID 25047062

IUPAC3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1cc(F)ccc1F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H9ClF3NO2S/c14-11-6-10(2-4-13(11)17)21(19,20)18-7-8-5-9(15)1-3-12(8)16/h1-6,18H,7H2
InChIKeyYKZDXEYRKAAOMP-UHFFFAOYSA-N
MW335.73 g/mol
LogP3.24
Rot. Bonds4

About 3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide

3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide (PubChem CID 25047062) has the molecular formula C13H9ClF3NO2S and a molecular weight of 335.73 g/mol. Its IUPAC name is 3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide
PubChem CID25047062
Molecular FormulaC13H9ClF3NO2S
Molecular Weight335.73 g/mol
Exact Mass335.00
IUPAC Name3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCc1cc(F)ccc1F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H9ClF3NO2S/c14-11-6-10(2-4-13(11)17)21(19,20)18-7-8-5-9(15)1-3-12(8)16/h1-6,18H,7H2
InChIKeyYKZDXEYRKAAOMP-UHFFFAOYSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.73
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3338012
4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110780979
3-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110781006
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
3-chloro-N-[(2,3-dichlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3843570
3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-fluorobenzenesulfonamide
CID 3830698
3-chloro-N-[(2,4-difluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782247
3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 24581072
N-[(2,5-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 63373518
4-amino-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 115330027
1-(4-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 110780997

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide (CID 25047062) is 3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCc1cc(F)ccc1F)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is YKZDXEYRKAAOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO2S/c14-11-6-10(2-4-13(11)17)21(19,20)18-7-8-5-9(15)1-3-12(8)16/h1-6,18H,7H2.
What are the key properties of 3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide?
3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide has a molecular weight of 335.73 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 25047062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).