4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide

C24H25N3O5S — CID 24981680

IUPAC4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C24H25N3O5S/c1-32-23-9-5-2-6-20(23)25-33(30,31)19-12-10-18(11-13-19)24(29)27-16-14-26(15-17-27)21-7-3-4-8-22(21)28/h2-13,25,28H,14-17H2,1H3
InChIKeyGQYOOBWEKCAFLL-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.16
Rot. Bonds6

About 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide

4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 24981680) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID24981680
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C24H25N3O5S/c1-32-23-9-5-2-6-20(23)25-33(30,31)19-12-10-18(11-13-19)24(29)27-16-14-26(15-17-27)21-7-3-4-8-22(21)28/h2-13,25,28H,14-17H2,1H3
InChIKeyGQYOOBWEKCAFLL-UHFFFAOYSA-N
XLogP3.16
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2083341
3-(Benzyl(2-methoxyphenyl)sulfamoyl)benzoic acid
CID 2396426
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-(4-methylsulfonylphenyl)benzamide
CID 10052433
2-[6-[4-(2-Methoxyphenyl)piperazin-1-yl]hexyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 155554326
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2106114
4-[(2-methoxyphenyl)sulfamoyl]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2519306
4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3557212
T5247935
CID 5216904
3-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide;hydrochloride
CID 16239406
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 42601204
4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 1277944
4-(dipropylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 2917766

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide (CID 24981680) is 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3O)CC2)cc1.
What is the InChIKey of 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is GQYOOBWEKCAFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-32-23-9-5-2-6-20(23)25-33(30,31)19-12-10-18(11-13-19)24(29)27-16-14-26(15-17-27)21-7-3-4-8-22(21)28/h2-13,25,28H,14-17H2,1H3.
What are the key properties of 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide?
4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 467.55 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 24981680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).