N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

C23H24N4O4S — CID 3903325

IUPACN-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C23H24N4O4S/c1-31-21-7-3-2-6-20(21)25-32(29,30)19-11-9-18(10-12-19)23(28)27-16-14-26(15-17-27)22-8-4-5-13-24-22/h2-13,25H,14-17H2,1H3
InChIKeyGFGYWDOFKZKMGM-UHFFFAOYSA-N
MW452.54 g/mol
LogP2.85
Rot. Bonds6

About N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 3903325) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID3903325
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC NameN-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C23H24N4O4S/c1-31-21-7-3-2-6-20(21)25-32(29,30)19-11-9-18(10-12-19)23(28)27-16-14-26(15-17-27)22-8-4-5-13-24-22/h2-13,25H,14-17H2,1H3
InChIKeyGFGYWDOFKZKMGM-UHFFFAOYSA-N
XLogP2.85
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide (CID 3903325) is N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is GFGYWDOFKZKMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-31-21-7-3-2-6-20(21)25-32(29,30)19-11-9-18(10-12-19)23(28)27-16-14-26(15-17-27)22-8-4-5-13-24-22/h2-13,25H,14-17H2,1H3.
What are the key properties of N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 452.54 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 3903325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).