4-chloro-N-(4-fluorophenyl)-N-[1-[2-(3-imidazol-1-ylpropoxy)phenyl]ethyl]benzenesulfonamide

C26H25ClFN3O3S — CID 22275486

IUPAC4-chloro-N-(4-fluorophenyl)-N-[1-[2-(3-imidazol-1-ylpropoxy)phenyl]ethyl]benzenesulfonamide
SMILESCC(c1ccccc1OCCCn1ccnc1)N(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H25ClFN3O3S/c1-20(25-5-2-3-6-26(25)34-18-4-16-30-17-15-29-19-30)31(23-11-9-22(28)10-12-23)35(32,33)24-13-7-21(27)8-14-24/h2-3,5-15,17,19-20H,4,16,18H2,1H3
InChIKeyOZUWVQGRIIAMOM-UHFFFAOYSA-N
MW514.02 g/mol
LogP6.10
Rot. Bonds10

About 4-chloro-N-(4-fluorophenyl)-N-[1-[2-(3-imidazol-1-ylpropoxy)phenyl]ethyl]benzenesulfonamide

4-chloro-N-(4-fluorophenyl)-N-[1-[2-(3-imidazol-1-ylpropoxy)phenyl]ethyl]benzenesulfonamide (PubChem CID 22275486) has the molecular formula C26H25ClFN3O3S and a molecular weight of 514.02 g/mol. Its IUPAC name is 4-chloro-N-(4-fluorophenyl)-N-[1-[2-(3-imidazol-1-ylpropoxy)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-fluorophenyl)-N-[1-[2-(3-imidazol-1-ylpropoxy)phenyl]ethyl]benzenesulfonamide
PubChem CID22275486
Molecular FormulaC26H25ClFN3O3S
Molecular Weight514.02 g/mol
Exact Mass513.13
IUPAC Name4-chloro-N-(4-fluorophenyl)-N-[1-[2-(3-imidazol-1-ylpropoxy)phenyl]ethyl]benzenesulfonamide
SMILESCC(c1ccccc1OCCCn1ccnc1)N(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H25ClFN3O3S/c1-20(25-5-2-3-6-26(25)34-18-4-16-30-17-15-29-19-30)31(23-11-9-22(28)10-12-23)35(32,33)24-13-7-21(27)8-14-24/h2-3,5-15,17,19-20H,4,16,18H2,1H3
InChIKeyOZUWVQGRIIAMOM-UHFFFAOYSA-N
XLogP6.10
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.02
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-fluorophenyl)-N-[1-[2-(3-imidazol-1-ylpropoxy)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-fluorophenyl)-N-[1-[2-(3-imidazol-1-ylpropoxy)phenyl]ethyl]benzenesulfonamide (CID 22275486) is 4-chloro-N-(4-fluorophenyl)-N-[1-[2-(3-imidazol-1-ylpropoxy)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-fluorophenyl)-N-[1-[2-(3-imidazol-1-ylpropoxy)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-fluorophenyl)-N-[1-[2-(3-imidazol-1-ylpropoxy)phenyl]ethyl]benzenesulfonamide is CC(c1ccccc1OCCCn1ccnc1)N(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-fluorophenyl)-N-[1-[2-(3-imidazol-1-ylpropoxy)phenyl]ethyl]benzenesulfonamide?
The InChIKey is OZUWVQGRIIAMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN3O3S/c1-20(25-5-2-3-6-26(25)34-18-4-16-30-17-15-29-19-30)31(23-11-9-22(28)10-12-23)35(32,33)24-13-7-21(27)8-14-24/h2-3,5-15,17,19-20H,4,16,18H2,1H3.
What are the key properties of 4-chloro-N-(4-fluorophenyl)-N-[1-[2-(3-imidazol-1-ylpropoxy)phenyl]ethyl]benzenesulfonamide?
4-chloro-N-(4-fluorophenyl)-N-[1-[2-(3-imidazol-1-ylpropoxy)phenyl]ethyl]benzenesulfonamide has a molecular weight of 514.02 g/mol, XLogP of 6.10, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-fluorophenyl)-N-[1-[2-(3-imidazol-1-ylpropoxy)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 22275486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).