N-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide

C13H10ClF2NO2S — CID 65030660

IUPACN-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CCl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C13H10ClF2NO2S/c14-8-9-1-4-11(5-2-9)17-20(18,19)13-6-3-10(15)7-12(13)16/h1-7,17H,8H2
InChIKeyFXSDYTZSMLJLLE-UHFFFAOYSA-N
MW317.74 g/mol
LogP3.50
Rot. Bonds4

About N-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide

N-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide (PubChem CID 65030660) has the molecular formula C13H10ClF2NO2S and a molecular weight of 317.74 g/mol. Its IUPAC name is N-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide
PubChem CID65030660
Molecular FormulaC13H10ClF2NO2S
Molecular Weight317.74 g/mol
Exact Mass317.01
IUPAC NameN-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(CCl)cc1)c1ccc(F)cc1F
InChIInChI=1S/C13H10ClF2NO2S/c14-8-9-1-4-11(5-2-9)17-20(18,19)13-6-3-10(15)7-12(13)16/h1-7,17H,8H2
InChIKeyFXSDYTZSMLJLLE-UHFFFAOYSA-N
XLogP3.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 114296387
N-[4-(chloromethyl)phenyl]-2,4,6-trifluorobenzenesulfonamide
CID 65030916
2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 31073462
4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061759
N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide
CID 3377300
2,5-difluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64792667
2,4-difluoro-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774544
N-(3-amino-4-ethylphenyl)-2,4-difluorobenzenesulfonamide
CID 43551083
2,4-difluoro-N-[4-(4-methylphenoxy)phenyl]benzenesulfonamide
CID 2494967
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,4-difluorobenzenesulfonamide
CID 2488296
2,4-difluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 3671490

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide (CID 65030660) is N-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide is O=S(=O)(Nc1ccc(CCl)cc1)c1ccc(F)cc1F.
What is the InChIKey of N-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is FXSDYTZSMLJLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO2S/c14-8-9-1-4-11(5-2-9)17-20(18,19)13-6-3-10(15)7-12(13)16/h1-7,17H,8H2.
What are the key properties of N-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide?
N-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 317.74 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 65030660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).