N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide

C24H25N3O3S — CID 1087164

IUPACN-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide
SMILESCS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C24H25N3O3S/c1-31(29,30)27-17-15-26(16-18-27)23-13-11-22(12-14-23)25-24(28)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-14H,15-18H2,1H3,(H,25,28)
InChIKeyBJQBCXLDJRGSCR-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.69
Rot. Bonds5

About N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide

N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide (PubChem CID 1087164) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide
PubChem CID1087164
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide
SMILESCS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C24H25N3O3S/c1-31(29,30)27-17-15-26(16-18-27)23-13-11-22(12-14-23)25-24(28)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-14H,15-18H2,1H3,(H,25,28)
InChIKeyBJQBCXLDJRGSCR-UHFFFAOYSA-N
XLogP3.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1421697
2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1087170
3,4-dimethoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 2238784
N-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
CID 1055877
N-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzamide
CID 59145502
N-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide
CID 11231850
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 1048483
N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
CID 17335407
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
4-methylsulfonyl-N-(4-phenylphenyl)benzamide
CID 7998967
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
4-(benzenesulfonamido)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53279951

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide (CID 1087164) is N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide is CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide?
The InChIKey is BJQBCXLDJRGSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-31(29,30)27-17-15-26(16-18-27)23-13-11-22(12-14-23)25-24(28)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-14H,15-18H2,1H3,(H,25,28).
What are the key properties of N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide?
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide has a molecular weight of 435.55 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-phenylbenzamide is sourced from PubChem (CID 1087164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).