4-(4-imidazol-1-ylphenyl)benzenesulfonyl chloride

C15H11ClN2O2S — CID 141011983

IUPAC4-(4-imidazol-1-ylphenyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C15H11ClN2O2S/c16-21(19,20)15-7-3-13(4-8-15)12-1-5-14(6-2-12)18-10-9-17-11-18/h1-11H
InChIKeySWLUOPPTGJLQOW-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.47
Rot. Bonds3

About 4-(4-imidazol-1-ylphenyl)benzenesulfonyl chloride

4-(4-imidazol-1-ylphenyl)benzenesulfonyl chloride (PubChem CID 141011983) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is 4-(4-imidazol-1-ylphenyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(4-imidazol-1-ylphenyl)benzenesulfonyl chloride
PubChem CID141011983
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC Name4-(4-imidazol-1-ylphenyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C15H11ClN2O2S/c16-21(19,20)15-7-3-13(4-8-15)12-1-5-14(6-2-12)18-10-9-17-11-18/h1-11H
InChIKeySWLUOPPTGJLQOW-UHFFFAOYSA-N
XLogP3.47
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171
4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 110867679
4-fluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 110867678
1-(4-imidazol-1-ylphenyl)sulfonyl-4-methylpiperazine
CID 14664372
3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine
CID 91579296
(4-imidazol-1-ylphenyl)arsane
CID 173134933
4-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 51429093
1-[4-[1,2,2-tris(4-imidazol-1-ylphenyl)ethyl]phenyl]imidazole
CID 162718283
4-imidazol-1-ylaniline;trihydrochloride
CID 68693958
1-(4-fluorophenyl)imidazole;hydrobromide
CID 175571353
N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110867693
3-(4-imidazol-1-ylphenyl)sulfonylpropyl-propylsilane
CID 161411517

Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazol-1-ylphenyl)benzenesulfonyl chloride?
The IUPAC name of 4-(4-imidazol-1-ylphenyl)benzenesulfonyl chloride (CID 141011983) is 4-(4-imidazol-1-ylphenyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(4-imidazol-1-ylphenyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(4-imidazol-1-ylphenyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(-c2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of 4-(4-imidazol-1-ylphenyl)benzenesulfonyl chloride?
The InChIKey is SWLUOPPTGJLQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c16-21(19,20)15-7-3-13(4-8-15)12-1-5-14(6-2-12)18-10-9-17-11-18/h1-11H.
What are the key properties of 4-(4-imidazol-1-ylphenyl)benzenesulfonyl chloride?
4-(4-imidazol-1-ylphenyl)benzenesulfonyl chloride has a molecular weight of 318.79 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imidazol-1-ylphenyl)benzenesulfonyl chloride is sourced from PubChem (CID 141011983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).