4-chloro-N-[1-[3-ethyl-2-(4-methylphenoxy)imidazol-4-yl]ethyl]-2,5-dimethylbenzenesulfonamide

C22H26ClN3O3S — CID 24875530

IUPAC4-chloro-N-[1-[3-ethyl-2-(4-methylphenoxy)imidazol-4-yl]ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCCn1c(C(C)NS(=O)(=O)c2cc(C)c(Cl)cc2C)cnc1Oc1ccc(C)cc1
InChIInChI=1S/C22H26ClN3O3S/c1-6-26-20(13-24-22(26)29-18-9-7-14(2)8-10-18)17(5)25-30(27,28)21-12-15(3)19(23)11-16(21)4/h7-13,17,25H,6H2,1-5H3
InChIKeyXLCLMVPGWHUKJN-UHFFFAOYSA-N
MW447.99 g/mol
LogP5.31
Rot. Bonds7

About 4-chloro-N-[1-[3-ethyl-2-(4-methylphenoxy)imidazol-4-yl]ethyl]-2,5-dimethylbenzenesulfonamide

4-chloro-N-[1-[3-ethyl-2-(4-methylphenoxy)imidazol-4-yl]ethyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 24875530) has the molecular formula C22H26ClN3O3S and a molecular weight of 447.99 g/mol. Its IUPAC name is 4-chloro-N-[1-[3-ethyl-2-(4-methylphenoxy)imidazol-4-yl]ethyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-[3-ethyl-2-(4-methylphenoxy)imidazol-4-yl]ethyl]-2,5-dimethylbenzenesulfonamide
PubChem CID24875530
Molecular FormulaC22H26ClN3O3S
Molecular Weight447.99 g/mol
Exact Mass447.14
IUPAC Name4-chloro-N-[1-[3-ethyl-2-(4-methylphenoxy)imidazol-4-yl]ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCCn1c(C(C)NS(=O)(=O)c2cc(C)c(Cl)cc2C)cnc1Oc1ccc(C)cc1
InChIInChI=1S/C22H26ClN3O3S/c1-6-26-20(13-24-22(26)29-18-9-7-14(2)8-10-18)17(5)25-30(27,28)21-12-15(3)19(23)11-16(21)4/h7-13,17,25H,6H2,1-5H3
InChIKeyXLCLMVPGWHUKJN-UHFFFAOYSA-N
XLogP5.31
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.99
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[(1S)-1-[4-ethyl-5-(4-methylphenoxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 58499764
4-chloro-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 22209047
N-[1-(4-butan-2-ylphenyl)ethyl]-4-chloro-2,5-dimethylbenzenesulfonamide
CID 22204761
5-chloro-N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzenesulfonamide
CID 58499537
3,4-dichloro-N-[(1R)-1-[5-(3,4-dimethylphenoxy)-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 24859106
3-chloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2-methylbenzenesulfonamide
CID 58499594
4-bromo-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2-methylbenzenesulfonamide
CID 58499698
3,4-dichloro-N-[1-[1-ethyl-5-(4-methylphenoxy)imidazol-2-yl]ethyl]benzenesulfinamide
CID 143522827
5-chloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2,4-difluorobenzenesulfonamide
CID 58500117
3,4-dichloro-N-[(1R)-1-[5-[4-(dimethylamino)phenoxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 58499711
N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2,5-dimethylthiophene-3-sulfonamide
CID 58499880
3,4-dichloro-N-[(1R)-1-[5-[(2,6-dimethyl-4-pyridinyl)oxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 58499734

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[3-ethyl-2-(4-methylphenoxy)imidazol-4-yl]ethyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-[3-ethyl-2-(4-methylphenoxy)imidazol-4-yl]ethyl]-2,5-dimethylbenzenesulfonamide (CID 24875530) is 4-chloro-N-[1-[3-ethyl-2-(4-methylphenoxy)imidazol-4-yl]ethyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-[3-ethyl-2-(4-methylphenoxy)imidazol-4-yl]ethyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-[3-ethyl-2-(4-methylphenoxy)imidazol-4-yl]ethyl]-2,5-dimethylbenzenesulfonamide is CCn1c(C(C)NS(=O)(=O)c2cc(C)c(Cl)cc2C)cnc1Oc1ccc(C)cc1.
What is the InChIKey of 4-chloro-N-[1-[3-ethyl-2-(4-methylphenoxy)imidazol-4-yl]ethyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is XLCLMVPGWHUKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3S/c1-6-26-20(13-24-22(26)29-18-9-7-14(2)8-10-18)17(5)25-30(27,28)21-12-15(3)19(23)11-16(21)4/h7-13,17,25H,6H2,1-5H3.
What are the key properties of 4-chloro-N-[1-[3-ethyl-2-(4-methylphenoxy)imidazol-4-yl]ethyl]-2,5-dimethylbenzenesulfonamide?
4-chloro-N-[1-[3-ethyl-2-(4-methylphenoxy)imidazol-4-yl]ethyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 447.99 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[3-ethyl-2-(4-methylphenoxy)imidazol-4-yl]ethyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 24875530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).