2,5-dichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide

C12H13Cl2N3O2S — CID 2843199

IUPAC2,5-dichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCn1ccnc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H13Cl2N3O2S/c13-10-2-3-11(14)12(8-10)20(18,19)16-4-1-6-17-7-5-15-9-17/h2-3,5,7-9,16H,1,4,6H2
InChIKeyPHMIKARVMAMENH-UHFFFAOYSA-N
MW334.23 g/mol
LogP2.56
Rot. Bonds6

About 2,5-dichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide

2,5-dichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide (PubChem CID 2843199) has the molecular formula C12H13Cl2N3O2S and a molecular weight of 334.23 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
PubChem CID2843199
Molecular FormulaC12H13Cl2N3O2S
Molecular Weight334.23 g/mol
Exact Mass333.01
IUPAC Name2,5-dichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCn1ccnc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H13Cl2N3O2S/c13-10-2-3-11(14)12(8-10)20(18,19)16-4-1-6-17-7-5-15-9-17/h2-3,5,7-9,16H,1,4,6H2
InChIKeyPHMIKARVMAMENH-UHFFFAOYSA-N
XLogP2.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-Dichlorophenyl)sulfonylimidazole
CID 403027
4,5-dichloro-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
CID 2986092
2,4-Dichloro-N-(3-imidazol-1-yl-propyl)-3-methyl-benzenesulfonamide
CID 5312199
2,5-dichloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 44304536
1-(3-Chloro-4-fluorophenyl)sulfonyl-3-(imidazol-1-ylmethyl)piperidine
CID 127051351
1-(2,5-Dichlorophenyl)sulfonyl-2-methyl-5-nitroimidazole
CID 775488
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-imidazol-1-ylpropyl)acetamide
CID 4877445
1-(2,4-Dichlorophenyl)sulfonylimidazole
CID 4914608
1-(2,5-Dichloro-benzenesulfonyl)-piperidine-4-carboxylic acid (3-imidazol-1-yl-propyl)-amide
CID 6491886
1-[(2,5-dichlorophenyl)sulfonyl]-2-isopropyl-1H-imidazole
CID 794380
1-(4-Chlorophenyl)sulfonyl-2-methylimidazole
CID 402990
Benzenesulfonamide, 4-chloro-N-(1-cyclohexyl-1H-imidazol-2-yl)-
CID 3054828

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide (CID 2843199) is 2,5-dichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide is O=S(=O)(NCCCn1ccnc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide?
The InChIKey is PHMIKARVMAMENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2S/c13-10-2-3-11(14)12(8-10)20(18,19)16-4-1-6-17-7-5-15-9-17/h2-3,5,7-9,16H,1,4,6H2.
What are the key properties of 2,5-dichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide?
2,5-dichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide has a molecular weight of 334.23 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 2843199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).