2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenol

C17H20N2O3S — CID 23792016

IUPAC2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenol
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C17H20N2O3S/c1-14-6-8-15(9-7-14)23(21,22)19-12-10-18(11-13-19)16-4-2-3-5-17(16)20/h2-9,20H,10-13H2,1H3
InChIKeyPNYUSWQDZNNPGI-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.21
Rot. Bonds3

About 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenol

2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenol (PubChem CID 23792016) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenol
PubChem CID23792016
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenol
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C17H20N2O3S/c1-14-6-8-15(9-7-14)23(21,22)19-12-10-18(11-13-19)16-4-2-3-5-17(16)20/h2-9,20H,10-13H2,1H3
InChIKeyPNYUSWQDZNNPGI-UHFFFAOYSA-N
XLogP2.21
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-hydroxy-N-phenylbenzenesulfonamide
CID 44407802
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-methylbenzenesulfonamide
CID 398712
1-[4-(2-Hydroxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one
CID 2420094
2-(4-Benzylpiperazin-1-yl)phenol
CID 8529065
N-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}-4-methyl-benzenesulfonamide
CID 11327137
{(2-Hydroxy-phenyl)-[2-((2-hydroxy-phenyl)-{[2-(4-sulfamoyl-phenyl)-ethylcarbamoyl]-methyl}-amino)-ethyl]-amino}-acetic acid
CID 11006065
[(2-Hydroxy-phenyl)-(2-{(2-hydroxy-phenyl)-[(4-sulfamoyl-benzylcarbamoyl)-methyl]-amino}-ethyl)-amino]-acetic acid
CID 11081987
[(2-Hydroxy-phenyl)-(2-{(2-hydroxy-phenyl)-[2-(4-sulfamoyl-phenyl)-ethoxycarbonylmethyl]-amino}-ethyl)-amino]-acetic acid
CID 11082122
((2-Hydroxy-phenyl)-{2-[(2-hydroxy-phenyl)-(4-sulfamoyl-benzyloxycarbonylmethyl)-amino]-ethyl}-amino)-acetic acid
CID 11092653
N-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-4-methyl-benzenesulfonamide
CID 11257767
N-Ethyl-N-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-4-methyl-benzenesulfonamide
CID 11373831
1-(2-Methoxyphenyl)-4-{1-[(4-methylphenyl)sulfonyl]-3-piperidinyl}piperazine
CID 24791430

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenol?
The IUPAC name of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenol (CID 23792016) is 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenol?
The canonical SMILES for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenol is Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3O)CC2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenol?
The InChIKey is PNYUSWQDZNNPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-14-6-8-15(9-7-14)23(21,22)19-12-10-18(11-13-19)16-4-2-3-5-17(16)20/h2-9,20H,10-13H2,1H3.
What are the key properties of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenol?
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenol has a molecular weight of 332.43 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenol is sourced from PubChem (CID 23792016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).