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

C24H26N4O4S — CID 3241872

IUPAC4-methoxy-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)cc1
InChIInChI=1S/C24H26N4O4S/c1-32-21-9-11-22(12-10-21)33(30,31)26-18-19-5-7-20(8-6-19)24(29)28-16-14-27(15-17-28)23-4-2-3-13-25-23/h2-13,26H,14-18H2,1H3
InChIKeyRPENSLBIJFHXBL-UHFFFAOYSA-N
MW466.56 g/mol
LogP2.53
Rot. Bonds7

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

4-methoxy-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide (PubChem CID 3241872) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is 4-methoxy-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
PubChem CID3241872
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC Name4-methoxy-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)cc1
InChIInChI=1S/C24H26N4O4S/c1-32-21-9-11-22(12-10-21)33(30,31)26-18-19-5-7-20(8-6-19)24(29)28-16-14-27(15-17-28)23-4-2-3-13-25-23/h2-13,26H,14-18H2,1H3
InChIKeyRPENSLBIJFHXBL-UHFFFAOYSA-N
XLogP2.53
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide (CID 3241872) is 4-methoxy-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is RPENSLBIJFHXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-32-21-9-11-22(12-10-21)33(30,31)26-18-19-5-7-20(8-6-19)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-methoxy-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
4-methoxy-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 466.56 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 3241872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).