4-fluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide

C15H12FN3O2S — CID 110867678

IUPAC4-fluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2ccnc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O2S/c16-12-1-7-15(8-2-12)22(20,21)18-13-3-5-14(6-4-13)19-10-9-17-11-19/h1-11,18H
InChIKeyPXRBXDQRDDXYOG-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.81
Rot. Bonds4

About 4-fluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide

4-fluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide (PubChem CID 110867678) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-fluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
PubChem CID110867678
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name4-fluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2ccnc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O2S/c16-12-1-7-15(8-2-12)22(20,21)18-13-3-5-14(6-4-13)19-10-9-17-11-19/h1-11,18H
InChIKeyPXRBXDQRDDXYOG-UHFFFAOYSA-N
XLogP2.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 110867679
2,4-difluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 3671490
1-(4-fluorophenyl)imidazole;hydrobromide
CID 175571353
N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110867693
N-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide
CID 3768573
4-fluoro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide
CID 35521119
4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 1164234
1-(4-fluorophenyl)sulfonyl-N-(4-imidazol-1-ylphenyl)piperidine-3-carboxamide
CID 55531467
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850
4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide
CID 6056611
4-(4-imidazol-1-ylphenyl)benzenesulfonyl chloride
CID 141011983
4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]benzenesulfonamide
CID 60580487

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide (CID 110867678) is 4-fluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(-n2ccnc2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide?
The InChIKey is PXRBXDQRDDXYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c16-12-1-7-15(8-2-12)22(20,21)18-13-3-5-14(6-4-13)19-10-9-17-11-19/h1-11,18H.
What are the key properties of 4-fluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide?
4-fluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide has a molecular weight of 317.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 110867678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).