N-[2-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-N-methylbenzenesulfonamide

C23H26N4O5S2 — CID 2959479

IUPACN-[2-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H26N4O5S2/c1-25(33(28,29)19-8-4-3-5-9-19)21-18-20(11-12-22(21)32-2)34(30,31)27-16-14-26(15-17-27)23-10-6-7-13-24-23/h3-13,18H,14-17H2,1-2H3
InChIKeyFDIFCYUDSJYPIC-UHFFFAOYSA-N
MW502.62 g/mol
LogP2.43
Rot. Bonds7

About N-[2-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-N-methylbenzenesulfonamide

N-[2-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-N-methylbenzenesulfonamide (PubChem CID 2959479) has the molecular formula C23H26N4O5S2 and a molecular weight of 502.62 g/mol. Its IUPAC name is N-[2-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-N-methylbenzenesulfonamide
PubChem CID2959479
Molecular FormulaC23H26N4O5S2
Molecular Weight502.62 g/mol
Exact Mass502.13
IUPAC NameN-[2-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H26N4O5S2/c1-25(33(28,29)19-8-4-3-5-9-19)21-18-20(11-12-22(21)32-2)34(30,31)27-16-14-26(15-17-27)23-10-6-7-13-24-23/h3-13,18H,14-17H2,1-2H3
InChIKeyFDIFCYUDSJYPIC-UHFFFAOYSA-N
XLogP2.43
TPSA100.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-N-methylbenzenesulfonamide (CID 2959479) is N-[2-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)cc1N(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-N-methylbenzenesulfonamide?
The InChIKey is FDIFCYUDSJYPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S2/c1-25(33(28,29)19-8-4-3-5-9-19)21-18-20(11-12-22(21)32-2)34(30,31)27-16-14-26(15-17-27)23-10-6-7-13-24-23/h3-13,18H,14-17H2,1-2H3.
What are the key properties of N-[2-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-N-methylbenzenesulfonamide?
N-[2-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-N-methylbenzenesulfonamide has a molecular weight of 502.62 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylphenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 2959479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).