4-methyl-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide

C24H26N4O3S — CID 3243910

IUPAC4-methyl-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)cc1
InChIInChI=1S/C24H26N4O3S/c1-19-5-11-22(12-6-19)32(30,31)26-18-20-7-9-21(10-8-20)24(29)28-16-14-27(15-17-28)23-4-2-3-13-25-23/h2-13,26H,14-18H2,1H3
InChIKeyOBMZPYQJSRLZML-UHFFFAOYSA-N
MW450.56 g/mol
LogP2.83
Rot. Bonds6

About 4-methyl-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide

4-methyl-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide (PubChem CID 3243910) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is 4-methyl-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
PubChem CID3243910
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name4-methyl-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)cc1
InChIInChI=1S/C24H26N4O3S/c1-19-5-11-22(12-6-19)32(30,31)26-18-20-7-9-21(10-8-20)24(29)28-16-14-27(15-17-28)23-4-2-3-13-25-23/h2-13,26H,14-18H2,1H3
InChIKeyOBMZPYQJSRLZML-UHFFFAOYSA-N
XLogP2.83
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide (CID 3243910) is 4-methyl-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is OBMZPYQJSRLZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-19-5-11-22(12-6-19)32(30,31)26-18-20-7-9-21(10-8-20)24(29)28-16-14-27(15-17-28)23-4-2-3-13-25-23/h2-13,26H,14-18H2,1H3.
What are the key properties of 4-methyl-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
4-methyl-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 450.56 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 3243910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).