4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

C24H22F3N3O4S — CID 24980360

IUPAC4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C24H22F3N3O4S/c25-24(26,27)18-4-3-5-19(16-18)28-35(33,34)20-10-8-17(9-11-20)23(32)30-14-12-29(13-15-30)21-6-1-2-7-22(21)31/h1-11,16,28,31H,12-15H2
InChIKeyOCMHWDUDMDJPNP-UHFFFAOYSA-N
MW505.52 g/mol
LogP4.17
Rot. Bonds5

About 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 24980360) has the molecular formula C24H22F3N3O4S and a molecular weight of 505.52 g/mol. Its IUPAC name is 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID24980360
Molecular FormulaC24H22F3N3O4S
Molecular Weight505.52 g/mol
Exact Mass505.13
IUPAC Name4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C24H22F3N3O4S/c25-24(26,27)18-4-3-5-19(16-18)28-35(33,34)20-10-8-17(9-11-20)23(32)30-14-12-29(13-15-30)21-6-1-2-7-22(21)31/h1-11,16,28,31H,12-15H2
InChIKeyOCMHWDUDMDJPNP-UHFFFAOYSA-N
XLogP4.17
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.52
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3557212
N-(2-hydroxyphenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1087707
2-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 3320895
N-[4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]-4-methyl-3-nitrobenzenesulfonamide
CID 24979676
4-ethoxy-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 25102652
N-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 25162618
[3-[4-(4-Fluorophenyl)piperazin-1-yl]sulfonylphenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 25163894
N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 5236593
N-(2-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 16239861
N-(2-hydroxyphenyl)-3-{[(2-hydroxyphenyl)amino]sulfonyl}benzamide
CID 1099210
N-(2-hydroxy-5-methylphenyl)-3-(1-piperidinylsulfonyl)benzamide
CID 1262336
N-(2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 25163603

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 24980360) is 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is O=C(c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is OCMHWDUDMDJPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O4S/c25-24(26,27)18-4-3-5-19(16-18)28-35(33,34)20-10-8-17(9-11-20)23(32)30-14-12-29(13-15-30)21-6-1-2-7-22(21)31/h1-11,16,28,31H,12-15H2.
What are the key properties of 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 505.52 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 24980360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).