4-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]benzenesulfonamide

C24H22ClN3O3S — CID 59632094

IUPAC4-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]benzenesulfonamide
SMILESCC(C)(O)c1cc(-c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C24H22ClN3O3S/c1-24(2,29)23-15-22(28(27-23)21-6-4-3-5-20(21)25)18-9-7-16(8-10-18)17-11-13-19(14-12-17)32(26,30)31/h3-15,29H,1-2H3,(H2,26,30,31)
InChIKeyKSGOIRWKVGGANW-UHFFFAOYSA-N
MW467.98 g/mol
LogP4.73
Rot. Bonds5

About 4-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]benzenesulfonamide

4-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]benzenesulfonamide (PubChem CID 59632094) has the molecular formula C24H22ClN3O3S and a molecular weight of 467.98 g/mol. Its IUPAC name is 4-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]benzenesulfonamide
PubChem CID59632094
Molecular FormulaC24H22ClN3O3S
Molecular Weight467.98 g/mol
Exact Mass467.11
IUPAC Name4-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]benzenesulfonamide
SMILESCC(C)(O)c1cc(-c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)n(-c2ccccc2Cl)n1
InChIInChI=1S/C24H22ClN3O3S/c1-24(2,29)23-15-22(28(27-23)21-6-4-3-5-20(21)25)18-9-7-16(8-10-18)17-11-13-19(14-12-17)32(26,30)31/h3-15,29H,1-2H3,(H2,26,30,31)
InChIKeyKSGOIRWKVGGANW-UHFFFAOYSA-N
XLogP4.73
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.98
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]phenyl]propan-2-ol
CID 59632276
1-[5-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]thiophen-2-yl]ethanone
CID 59632988
2-[1-(2-chlorophenyl)-5-[3-ethyl-5-(3-methylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59632179
2-(4-methylphenyl)sulfonylethyl 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzoate
CID 68656318
2-[5-(3-chloro-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67662512
2-[1-(2-chlorophenyl)-5-[5-(2-propan-2-ylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59632129
2-[1-(2-chlorophenyl)-5-[5-(1H-pyrrol-2-yl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 136609731
N-[4-(carbamoylsulfamoyl)phenyl]-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 59631667
2-[1-(2-chlorophenyl)-5-[5-(2-methyl-5-morpholin-4-ylsulfonylphenyl)thiophen-2-yl]pyrazol-3-yl]propan-2-ol
CID 59631899
1-(2-chlorophenyl)-5-[4-(3-methylsulfonylphenoxy)phenyl]-3-(trifluoromethyl)pyrazole
CID 59631781
3-methyl-4-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315633
1-[4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-2-(3-methylsulfonylphenyl)ethanone
CID 59633434

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]benzenesulfonamide (CID 59632094) is 4-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]benzenesulfonamide is CC(C)(O)c1cc(-c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)n(-c2ccccc2Cl)n1.
What is the InChIKey of 4-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]benzenesulfonamide?
The InChIKey is KSGOIRWKVGGANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3S/c1-24(2,29)23-15-22(28(27-23)21-6-4-3-5-20(21)25)18-9-7-16(8-10-18)17-11-13-19(14-12-17)32(26,30)31/h3-15,29H,1-2H3,(H2,26,30,31).
What are the key properties of 4-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]benzenesulfonamide?
4-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]benzenesulfonamide has a molecular weight of 467.98 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(2-chlorophenyl)-3-(2-hydroxypropan-2-yl)pyrazol-5-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 59632094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).