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

C24H25N3O4S — CID 24820067

IUPAC4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C24H25N3O4S/c1-18-6-2-3-7-21(18)25-32(30,31)20-12-10-19(11-13-20)24(29)27-16-14-26(15-17-27)22-8-4-5-9-23(22)28/h2-13,25,28H,14-17H2,1H3
InChIKeyBNIJYQDGMKDKDN-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.46
Rot. Bonds5

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

4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 24820067) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide
PubChem CID24820067
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C24H25N3O4S/c1-18-6-2-3-7-21(18)25-32(30,31)20-12-10-19(11-13-20)24(29)27-16-14-26(15-17-27)22-8-4-5-9-23(22)28/h2-13,25,28H,14-17H2,1H3
InChIKeyBNIJYQDGMKDKDN-UHFFFAOYSA-N
XLogP3.46
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.46
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
3-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide;hydrochloride
CID 16239406
N-(4-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3115504
N-(2-hydroxyphenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1087707
1-(2-Methoxyphenyl)-4-[4-(1-piperidinylsulfonyl)benzoyl]piperazine
CID 1297523
1-(2-Methoxyphenyl)-4-[4-(1-pyrrolidinylsulfonyl)benzoyl]piperazine
CID 1307216
4-{[(3-hydroxyphenyl)amino]sulfonyl}-N-phenylbenzamide
CID 2221592
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 2404318
N-(2-amino-2-oxoethyl)-4-[(2-methoxyphenyl)-methylsulfamoyl]-N-propan-2-ylbenzamide
CID 2469862
1-[4-[(2-Methoxyphenyl)-methylsulfamoyl]benzoyl]piperidine-4-carboxamide
CID 2517041
N-(2-{[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl}phenyl)-4-methylbenzenesulfonamide
CID 2980680
2-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 3320895

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide (CID 24820067) is 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3O)CC2)cc1.
What is the InChIKey of 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is BNIJYQDGMKDKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-18-6-2-3-7-21(18)25-32(30,31)20-12-10-19(11-13-20)24(29)27-16-14-26(15-17-27)22-8-4-5-9-23(22)28/h2-13,25,28H,14-17H2,1H3.
What are the key properties of 4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide?
4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 451.55 g/mol, XLogP of 3.46, 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-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 24820067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).