N-(4-hydroxy-3-methylsulfonylphenyl)-4-(piperazin-1-ylmethyl)benzamide

C19H23N3O4S — CID 175602078

IUPACN-(4-hydroxy-3-methylsulfonylphenyl)-4-(piperazin-1-ylmethyl)benzamide
SMILESCS(=O)(=O)c1cc(NC(=O)c2ccc(CN3CCNCC3)cc2)ccc1O
InChIInChI=1S/C19H23N3O4S/c1-27(25,26)18-12-16(6-7-17(18)23)21-19(24)15-4-2-14(3-5-15)13-22-10-8-20-9-11-22/h2-7,12,20,23H,8-11,13H2,1H3,(H,21,24)
InChIKeyFQEWRYHAWOKTLX-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.45
Rot. Bonds5

About N-(4-hydroxy-3-methylsulfonylphenyl)-4-(piperazin-1-ylmethyl)benzamide

N-(4-hydroxy-3-methylsulfonylphenyl)-4-(piperazin-1-ylmethyl)benzamide (PubChem CID 175602078) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfonylphenyl)-4-(piperazin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfonylphenyl)-4-(piperazin-1-ylmethyl)benzamide
PubChem CID175602078
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-(4-hydroxy-3-methylsulfonylphenyl)-4-(piperazin-1-ylmethyl)benzamide
SMILESCS(=O)(=O)c1cc(NC(=O)c2ccc(CN3CCNCC3)cc2)ccc1O
InChIInChI=1S/C19H23N3O4S/c1-27(25,26)18-12-16(6-7-17(18)23)21-19(24)15-4-2-14(3-5-15)13-22-10-8-20-9-11-22/h2-7,12,20,23H,8-11,13H2,1H3,(H,21,24)
InChIKeyFQEWRYHAWOKTLX-UHFFFAOYSA-N
XLogP1.45
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-(piperazin-1-ylmethyl)benzamide
CID 82166251
4-[(4-bromophenoxy)methyl]-N-(4-hydroxy-3-methylsulfonylphenyl)benzamide
CID 175601981
N-(4-hydroxy-3-methylsulfonylphenyl)-4-[2-[4-(trifluoromethoxy)phenyl]ethoxy]benzamide
CID 175987914
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-naphthalen-2-ylbenzamide
CID 43919630
N-(4-chlorophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919467
N-(4-bromophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919548
N-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919041
N-(3-chloro-4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43922033
CID 163963196
CID 163963196
methanesulfonic acid;N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(piperazin-1-ylmethyl)benzamide
CID 10188302
4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 38099080
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43922194

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfonylphenyl)-4-(piperazin-1-ylmethyl)benzamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfonylphenyl)-4-(piperazin-1-ylmethyl)benzamide (CID 175602078) is N-(4-hydroxy-3-methylsulfonylphenyl)-4-(piperazin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfonylphenyl)-4-(piperazin-1-ylmethyl)benzamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfonylphenyl)-4-(piperazin-1-ylmethyl)benzamide is CS(=O)(=O)c1cc(NC(=O)c2ccc(CN3CCNCC3)cc2)ccc1O.
What is the InChIKey of N-(4-hydroxy-3-methylsulfonylphenyl)-4-(piperazin-1-ylmethyl)benzamide?
The InChIKey is FQEWRYHAWOKTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-27(25,26)18-12-16(6-7-17(18)23)21-19(24)15-4-2-14(3-5-15)13-22-10-8-20-9-11-22/h2-7,12,20,23H,8-11,13H2,1H3,(H,21,24).
What are the key properties of N-(4-hydroxy-3-methylsulfonylphenyl)-4-(piperazin-1-ylmethyl)benzamide?
N-(4-hydroxy-3-methylsulfonylphenyl)-4-(piperazin-1-ylmethyl)benzamide has a molecular weight of 389.48 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfonylphenyl)-4-(piperazin-1-ylmethyl)benzamide is sourced from PubChem (CID 175602078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).