4-[3-(4-chlorophenyl)-5-ethyl-5-hydroxy-4H-imidazol-2-yl]benzenesulfonamide

C17H18ClN3O3S — CID 22997777

IUPAC4-[3-(4-chlorophenyl)-5-ethyl-5-hydroxy-4H-imidazol-2-yl]benzenesulfonamide
SMILESCCC1(O)CN(c2ccc(Cl)cc2)C(c2ccc(S(N)(=O)=O)cc2)=N1
InChIInChI=1S/C17H18ClN3O3S/c1-2-17(22)11-21(14-7-5-13(18)6-8-14)16(20-17)12-3-9-15(10-4-12)25(19,23)24/h3-10,22H,2,11H2,1H3,(H2,19,23,24)
InChIKeyZTNQHOCOYQWMSZ-UHFFFAOYSA-N
MW379.87 g/mol
LogP2.35
Rot. Bonds4

About 4-[3-(4-chlorophenyl)-5-ethyl-5-hydroxy-4H-imidazol-2-yl]benzenesulfonamide

4-[3-(4-chlorophenyl)-5-ethyl-5-hydroxy-4H-imidazol-2-yl]benzenesulfonamide (PubChem CID 22997777) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-5-ethyl-5-hydroxy-4H-imidazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-5-ethyl-5-hydroxy-4H-imidazol-2-yl]benzenesulfonamide
PubChem CID22997777
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Name4-[3-(4-chlorophenyl)-5-ethyl-5-hydroxy-4H-imidazol-2-yl]benzenesulfonamide
SMILESCCC1(O)CN(c2ccc(Cl)cc2)C(c2ccc(S(N)(=O)=O)cc2)=N1
InChIInChI=1S/C17H18ClN3O3S/c1-2-17(22)11-21(14-7-5-13(18)6-8-14)16(20-17)12-3-9-15(10-4-12)25(19,23)24/h3-10,22H,2,11H2,1H3,(H2,19,23,24)
InChIKeyZTNQHOCOYQWMSZ-UHFFFAOYSA-N
XLogP2.35
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-chlorophenoxy)methyl]-3-(4-chlorophenyl)-2-(4-methylsulfonylphenyl)-4H-imidazol-5-ol
CID 22997878
4-[5-benzoyl-2-(4-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide
CID 22998229
4-[2-(4-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
CID 22998209
4-[2-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
CID 22998217
1-[2-(4-chlorophenyl)-5-hydroxy-3-(4-methylsulfonylphenyl)-4H-imidazol-5-yl]heptan-1-one
CID 22998051
4-[5-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
CID 162579127
4-[3-(3-fluoro-4-methoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-2-yl]benzenesulfonamide
CID 22997697
2-(4-chlorophenyl)-5,5-bis(4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-4H-imidazole
CID 22998078
2-(4-ethylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 22998091
4-[2-(3-fluorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
CID 22998065
ethyl 5-(4-chlorophenyl)-2,4-dimethyl-1-(4-sulfamoylphenyl)-3H-pyrrole-2-carboxylate
CID 172856892
4-[5-benzoyl-2-(2-chlorophenyl)-5-hydroxy-4H-imidazol-3-yl]benzenesulfonamide
CID 67635009

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-5-ethyl-5-hydroxy-4H-imidazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-5-ethyl-5-hydroxy-4H-imidazol-2-yl]benzenesulfonamide (CID 22997777) is 4-[3-(4-chlorophenyl)-5-ethyl-5-hydroxy-4H-imidazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-5-ethyl-5-hydroxy-4H-imidazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-5-ethyl-5-hydroxy-4H-imidazol-2-yl]benzenesulfonamide is CCC1(O)CN(c2ccc(Cl)cc2)C(c2ccc(S(N)(=O)=O)cc2)=N1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-5-ethyl-5-hydroxy-4H-imidazol-2-yl]benzenesulfonamide?
The InChIKey is ZTNQHOCOYQWMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c1-2-17(22)11-21(14-7-5-13(18)6-8-14)16(20-17)12-3-9-15(10-4-12)25(19,23)24/h3-10,22H,2,11H2,1H3,(H2,19,23,24).
What are the key properties of 4-[3-(4-chlorophenyl)-5-ethyl-5-hydroxy-4H-imidazol-2-yl]benzenesulfonamide?
4-[3-(4-chlorophenyl)-5-ethyl-5-hydroxy-4H-imidazol-2-yl]benzenesulfonamide has a molecular weight of 379.87 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-5-ethyl-5-hydroxy-4H-imidazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 22997777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).