N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

C23H24N4O3S — CID 2998879

IUPACN-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C23H24N4O3S/c1-25(20-9-3-2-4-10-20)31(29,30)21-11-7-8-19(18-21)23(28)27-16-14-26(15-17-27)22-12-5-6-13-24-22/h2-13,18H,14-17H2,1H3
InChIKeySMWBUCVUTANSFF-UHFFFAOYSA-N
MW436.54 g/mol
LogP2.87
Rot. Bonds5

About N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide

N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 2998879) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID2998879
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C23H24N4O3S/c1-25(20-9-3-2-4-10-20)31(29,30)21-11-7-8-19(18-21)23(28)27-16-14-26(15-17-27)22-12-5-6-13-24-22/h2-13,18H,14-17H2,1H3
InChIKeySMWBUCVUTANSFF-UHFFFAOYSA-N
XLogP2.87
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide (CID 2998879) is N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide is CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is SMWBUCVUTANSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-25(20-9-3-2-4-10-20)31(29,30)21-11-7-8-19(18-21)23(28)27-16-14-26(15-17-27)22-12-5-6-13-24-22/h2-13,18H,14-17H2,1H3.
What are the key properties of N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 436.54 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 2998879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).