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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Related Compounds

4-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 93207173
4-chloro-N-(2,5-difluorophenyl)-N-[[2-(3-imidazol-1-ylpropoxy)-6-methoxyphenyl]methyl]benzenesulfonamide;hydrochloride
CID 22275873
N-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]phenoxy]propyl]-N-methylacetamide
CID 22275232
N-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]phenoxy]propyl]-2,3,4,5,6-pentafluorobenzamide
CID 22275659
1-[4-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]phenoxy]butyl]-1-methylurea
CID 22275897
N-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]phenoxy]propyl]-2,5-difluorobenzamide
CID 22275386
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 42841650
N-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]phenoxy]propyl]-3,5-difluoro-N-methylbenzamide
CID 22275392
N-[3-[2-[1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]phenoxy]propyl]-3-methoxy-N-methylbenzamide
CID 22275342
1-[4-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]ethanamine
CID 63064237
1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60878818
1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole
CID 2852343

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).