N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]-4-pyridin-2-ylbenzamide

C25H28N4O3S — CID 59672648

IUPACN-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]-4-pyridin-2-ylbenzamide
SMILESCC(C)N1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccn4)cc3)cc2)CC1
InChIInChI=1S/C25H28N4O3S/c1-19(2)28-15-17-29(18-16-28)33(31,32)23-12-10-22(11-13-23)27-25(30)21-8-6-20(7-9-21)24-5-3-4-14-26-24/h3-14,19H,15-18H2,1-2H3,(H,27,30)
InChIKeyHRZAGAILOLRXSQ-UHFFFAOYSA-N
MW464.59 g/mol
LogP3.72
Rot. Bonds6

About N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]-4-pyridin-2-ylbenzamide

N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]-4-pyridin-2-ylbenzamide (PubChem CID 59672648) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]-4-pyridin-2-ylbenzamide
PubChem CID59672648
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC NameN-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]-4-pyridin-2-ylbenzamide
SMILESCC(C)N1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccn4)cc3)cc2)CC1
InChIInChI=1S/C25H28N4O3S/c1-19(2)28-15-17-29(18-16-28)33(31,32)23-12-10-22(11-13-23)27-25(30)21-8-6-20(7-9-21)24-5-3-4-14-26-24/h3-14,19H,15-18H2,1-2H3,(H,27,30)
InChIKeyHRZAGAILOLRXSQ-UHFFFAOYSA-N
XLogP3.72
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]-4-pyridin-2-ylbenzamide?
The IUPAC name of N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]-4-pyridin-2-ylbenzamide (CID 59672648) is N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]-4-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]-4-pyridin-2-ylbenzamide?
The canonical SMILES for N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]-4-pyridin-2-ylbenzamide is CC(C)N1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccn4)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]-4-pyridin-2-ylbenzamide?
The InChIKey is HRZAGAILOLRXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-19(2)28-15-17-29(18-16-28)33(31,32)23-12-10-22(11-13-23)27-25(30)21-8-6-20(7-9-21)24-5-3-4-14-26-24/h3-14,19H,15-18H2,1-2H3,(H,27,30).
What are the key properties of N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]-4-pyridin-2-ylbenzamide?
N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]-4-pyridin-2-ylbenzamide has a molecular weight of 464.59 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 59672648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).