N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-4-iodobenzenesulfonamide

C15H10Cl2IN3O2S — CID 3277746

IUPACN-[4-(4,5-dichloroimidazol-1-yl)phenyl]-4-iodobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cnc(Cl)c2Cl)cc1)c1ccc(I)cc1
InChIInChI=1S/C15H10Cl2IN3O2S/c16-14-15(17)21(9-19-14)12-5-3-11(4-6-12)20-24(22,23)13-7-1-10(18)2-8-13/h1-9,20H
InChIKeyRJNIOSGPGFORDD-UHFFFAOYSA-N
MW494.14 g/mol
LogP4.58
Rot. Bonds4

About N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-4-iodobenzenesulfonamide

N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-4-iodobenzenesulfonamide (PubChem CID 3277746) has the molecular formula C15H10Cl2IN3O2S and a molecular weight of 494.14 g/mol. Its IUPAC name is N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-4-iodobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4,5-dichloroimidazol-1-yl)phenyl]-4-iodobenzenesulfonamide
PubChem CID3277746
Molecular FormulaC15H10Cl2IN3O2S
Molecular Weight494.14 g/mol
Exact Mass492.89
IUPAC NameN-[4-(4,5-dichloroimidazol-1-yl)phenyl]-4-iodobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cnc(Cl)c2Cl)cc1)c1ccc(I)cc1
InChIInChI=1S/C15H10Cl2IN3O2S/c16-14-15(17)21(9-19-14)12-5-3-11(4-6-12)20-24(22,23)13-7-1-10(18)2-8-13/h1-9,20H
InChIKeyRJNIOSGPGFORDD-UHFFFAOYSA-N
XLogP4.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.14
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide
CID 3859357
N-[4-(4,5-dichloroimidazol-1-yl)phenyl]pyridine-3-sulfonamide
CID 25036762
2-chloro-5-[[4-(4,5-dichloroimidazol-1-yl)phenyl]sulfamoyl]benzoic acid
CID 58937020
2-bromo-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide
CID 3276095
2,4-dichloro-N-[4-(4,5-dichloroimidazol-1-yl)phenyl]benzenesulfonamide
CID 3851178
N-[4-(4,5-dichloroimidazol-1-yl)phenyl]quinoline-8-sulfonamide
CID 3866993
N-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide
CID 103744866
N-(4-bromophenyl)-4-iodobenzenesulfonamide
CID 990484
N-(2-chloro-3-pyridinyl)-4-iodobenzenesulfonamide
CID 113221263
N-[4-(5-chloro-3-methylpyrazol-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370933
4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 110867679
4,5-dichloro-1-(4-pyrrolidin-1-ylphenyl)imidazole
CID 168515848

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-4-iodobenzenesulfonamide?
The IUPAC name of N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-4-iodobenzenesulfonamide (CID 3277746) is N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-4-iodobenzenesulfonamide.
What is the SMILES notation for N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-4-iodobenzenesulfonamide?
The canonical SMILES for N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-4-iodobenzenesulfonamide is O=S(=O)(Nc1ccc(-n2cnc(Cl)c2Cl)cc1)c1ccc(I)cc1.
What is the InChIKey of N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-4-iodobenzenesulfonamide?
The InChIKey is RJNIOSGPGFORDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2IN3O2S/c16-14-15(17)21(9-19-14)12-5-3-11(4-6-12)20-24(22,23)13-7-1-10(18)2-8-13/h1-9,20H.
What are the key properties of N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-4-iodobenzenesulfonamide?
N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-4-iodobenzenesulfonamide has a molecular weight of 494.14 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-4-iodobenzenesulfonamide is sourced from PubChem (CID 3277746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).