2,4-dichloro-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide

C15H9Cl4N3O2S — CID 3851178

IUPAC2,4-dichloro-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cnc(Cl)c2Cl)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl4N3O2S/c16-9-1-6-13(12(17)7-9)25(23,24)21-10-2-4-11(5-3-10)22-8-20-14(18)15(22)19/h1-8,21H
InChIKeyYYLQCEKEIGEHIO-UHFFFAOYSA-N
MW437.14 g/mol
LogP5.29
Rot. Bonds4

About 2,4-dichloro-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide

2,4-dichloro-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 3851178) has the molecular formula C15H9Cl4N3O2S and a molecular weight of 437.14 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide
PubChem CID3851178
Molecular FormulaC15H9Cl4N3O2S
Molecular Weight437.14 g/mol
Exact Mass434.92
IUPAC Name2,4-dichloro-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cnc(Cl)c2Cl)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl4N3O2S/c16-9-1-6-13(12(17)7-9)25(23,24)21-10-2-4-11(5-3-10)22-8-20-14(18)15(22)19/h1-8,21H
InChIKeyYYLQCEKEIGEHIO-UHFFFAOYSA-N
XLogP5.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.14
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide
CID 3859357
2-bromo-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide
CID 3276095
N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-4-iodobenzenesulfonamide
CID 3277746
N-[4-(4,5-dichloroimidazol-1-yl)phenyl]quinoline-8-sulfonamide
CID 3866993
2-chloro-5-[[4-(4,5-dichloroimidazol-1-yl)phenyl]sulfamoyl]benzoic acid
CID 58937020
N-[4-(4,5-dichloroimidazol-1-yl)phenyl]pyridine-3-sulfonamide
CID 25036762
2,4-dichloro-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 69228032
2,4-dichloro-N-[4-(diethylamino)phenyl]benzenesulfonamide
CID 3830236
2,5-dichloro-N-[4-(3-methylpyrazol-1-yl)phenyl]benzenesulfonamide
CID 35521098
3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
CID 74014269
(E)-3-[4-[(2,4-dichlorophenyl)sulfonylamino]phenyl]-N-hydroxyprop-2-enamide
CID 22986769
N-(1,3-benzothiazol-6-yl)-2,4-dichlorobenzenesulfonamide
CID 59823085

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide (CID 3851178) is 2,4-dichloro-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-n2cnc(Cl)c2Cl)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is YYLQCEKEIGEHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl4N3O2S/c16-9-1-6-13(12(17)7-9)25(23,24)21-10-2-4-11(5-3-10)22-8-20-14(18)15(22)19/h1-8,21H.
What are the key properties of 2,4-dichloro-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide?
2,4-dichloro-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 437.14 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3851178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).