N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide

C19H14F3NO2S — CID 46022862

IUPACN-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1cccc(F)c1)N(Cc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C19H14F3NO2S/c20-15-5-4-8-18(11-15)26(24,25)23(17-6-2-1-3-7-17)13-14-9-10-16(21)12-19(14)22/h1-12H,13H2
InChIKeyKNVMWKIKIADWLJ-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.50
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide

N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide (PubChem CID 46022862) has the molecular formula C19H14F3NO2S and a molecular weight of 377.39 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
PubChem CID46022862
Molecular FormulaC19H14F3NO2S
Molecular Weight377.39 g/mol
Exact Mass377.07
IUPAC NameN-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
SMILESO=S(=O)(c1cccc(F)c1)N(Cc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C19H14F3NO2S/c20-15-5-4-8-18(11-15)26(24,25)23(17-6-2-1-3-7-17)13-14-9-10-16(21)12-19(14)22/h1-12H,13H2
InChIKeyKNVMWKIKIADWLJ-UHFFFAOYSA-N
XLogP4.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-3-methoxy-N-phenylbenzenesulfonamide
CID 46022863
N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 42841931
N-[(2-fluorophenyl)methyl]-N-phenylbenzenesulfonamide
CID 967232
3-fluoro-N-phenyl-N-propylbenzenesulfonamide
CID 142103274
N-[(2,4-difluorophenyl)methyl]-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 46152473
N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46152490
N-[(2,4-difluorophenyl)methyl]-2-fluoro-N-(3-methylphenyl)benzenesulfonamide
CID 46022344
3-fluoro-N,N-diphenylbenzenesulfonamide
CID 23881981
N-[(2,4-difluorophenyl)methyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 46021806
N-[(2,4-difluorophenyl)methyl]-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 46022342
N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021763
N-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)benzenesulfonamide
CID 46152488

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide (CID 46022862) is N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide is O=S(=O)(c1cccc(F)c1)N(Cc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide?
The InChIKey is KNVMWKIKIADWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO2S/c20-15-5-4-8-18(11-15)26(24,25)23(17-6-2-1-3-7-17)13-14-9-10-16(21)12-19(14)22/h1-12H,13H2.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide?
N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide has a molecular weight of 377.39 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide is sourced from PubChem (CID 46022862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).