2,4-difluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide

C15H11F2N3O2S — CID 3671490

IUPAC2,4-difluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2ccnc2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C15H11F2N3O2S/c16-11-1-6-15(14(17)9-11)23(21,22)19-12-2-4-13(5-3-12)20-8-7-18-10-20/h1-10,19H
InChIKeyKTSIIGZQAJAPLV-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.95
Rot. Bonds4

About 2,4-difluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide

2,4-difluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide (PubChem CID 3671490) has the molecular formula C15H11F2N3O2S and a molecular weight of 335.34 g/mol. Its IUPAC name is 2,4-difluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
PubChem CID3671490
Molecular FormulaC15H11F2N3O2S
Molecular Weight335.34 g/mol
Exact Mass335.05
IUPAC Name2,4-difluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2ccnc2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C15H11F2N3O2S/c16-11-1-6-15(14(17)9-11)23(21,22)19-12-2-4-13(5-3-12)20-8-7-18-10-20/h1-10,19H
InChIKeyKTSIIGZQAJAPLV-UHFFFAOYSA-N
XLogP2.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 110867678
2,4-difluoro-N-[4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 31073462
4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 110867679
4-fluoro-N-[(4-imidazol-1-ylphenyl)methyl]-2-methylbenzenesulfonamide
CID 95176032
N-[4-(2-bromoethyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 114296387
1-(4-fluorophenyl)imidazole;hydrobromide
CID 175571353
N-[4-(chloromethyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 65030660
N-[4-(diethylamino)phenyl]-2,4-difluorobenzenesulfonamide
CID 3377300
N-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide
CID 3768573
N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110867693
2,4-difluoro-N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 7524163
3-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 17441104

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide (CID 3671490) is 2,4-difluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(-n2ccnc2)cc1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide?
The InChIKey is KTSIIGZQAJAPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2S/c16-11-1-6-15(14(17)9-11)23(21,22)19-12-2-4-13(5-3-12)20-8-7-18-10-20/h1-10,19H.
What are the key properties of 2,4-difluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide?
2,4-difluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide has a molecular weight of 335.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 3671490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).