N-[6-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-4-fluorobenzamide

C24H25FN4O3S — CID 46084509

IUPACN-[6-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-4-fluorobenzamide
SMILESCc1cc(C)cc(S(=O)(=O)N2CCN(c3ccc(NC(=O)c4ccc(F)cc4)cn3)CC2)c1
InChIInChI=1S/C24H25FN4O3S/c1-17-13-18(2)15-22(14-17)33(31,32)29-11-9-28(10-12-29)23-8-7-21(16-26-23)27-24(30)19-3-5-20(25)6-4-19/h3-8,13-16H,9-12H2,1-2H3,(H,27,30)
InChIKeyZWUXYZIRNHZXON-UHFFFAOYSA-N
MW468.55 g/mol
LogP3.60
Rot. Bonds5

About N-[6-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-4-fluorobenzamide

N-[6-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-4-fluorobenzamide (PubChem CID 46084509) has the molecular formula C24H25FN4O3S and a molecular weight of 468.55 g/mol. Its IUPAC name is N-[6-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[6-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-4-fluorobenzamide
PubChem CID46084509
Molecular FormulaC24H25FN4O3S
Molecular Weight468.55 g/mol
Exact Mass468.16
IUPAC NameN-[6-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-4-fluorobenzamide
SMILESCc1cc(C)cc(S(=O)(=O)N2CCN(c3ccc(NC(=O)c4ccc(F)cc4)cn3)CC2)c1
InChIInChI=1S/C24H25FN4O3S/c1-17-13-18(2)15-22(14-17)33(31,32)29-11-9-28(10-12-29)23-8-7-21(16-26-23)27-24(30)19-3-5-20(25)6-4-19/h3-8,13-16H,9-12H2,1-2H3,(H,27,30)
InChIKeyZWUXYZIRNHZXON-UHFFFAOYSA-N
XLogP3.60
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-4-fluorobenzamide?
The IUPAC name of N-[6-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-4-fluorobenzamide (CID 46084509) is N-[6-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-4-fluorobenzamide.
What is the SMILES notation for N-[6-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-4-fluorobenzamide?
The canonical SMILES for N-[6-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-4-fluorobenzamide is Cc1cc(C)cc(S(=O)(=O)N2CCN(c3ccc(NC(=O)c4ccc(F)cc4)cn3)CC2)c1.
What is the InChIKey of N-[6-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-4-fluorobenzamide?
The InChIKey is ZWUXYZIRNHZXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3S/c1-17-13-18(2)15-22(14-17)33(31,32)29-11-9-28(10-12-29)23-8-7-21(16-26-23)27-24(30)19-3-5-20(25)6-4-19/h3-8,13-16H,9-12H2,1-2H3,(H,27,30).
What are the key properties of N-[6-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-4-fluorobenzamide?
N-[6-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-4-fluorobenzamide has a molecular weight of 468.55 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-4-fluorobenzamide is sourced from PubChem (CID 46084509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).