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

C24H26N4O4S — CID 27255421

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2-methoxyphenyl)-N-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C24H26N4O4S/c1-26(21-7-3-4-8-22(21)32-2)33(30,31)20-12-10-19(11-13-20)24(29)28-17-15-27(16-18-28)23-9-5-6-14-25-23/h3-14H,15-18H2,1-2H3
InChIKeyYMUQRKUVJHYKEZ-UHFFFAOYSA-N
MW466.56 g/mol
LogP2.88
Rot. Bonds6

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

N-(2-methoxyphenyl)-N-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 27255421) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID27255421
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC NameN-(2-methoxyphenyl)-N-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C24H26N4O4S/c1-26(21-7-3-4-8-22(21)32-2)33(30,31)20-12-10-19(11-13-20)24(29)28-17-15-27(16-18-28)23-9-5-6-14-25-23/h3-14H,15-18H2,1-2H3
InChIKeyYMUQRKUVJHYKEZ-UHFFFAOYSA-N
XLogP2.88
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-N-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide (CID 27255421) is N-(2-methoxyphenyl)-N-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-N-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is YMUQRKUVJHYKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-26(21-7-3-4-8-22(21)32-2)33(30,31)20-12-10-19(11-13-20)24(29)28-17-15-27(16-18-28)23-9-5-6-14-25-23/h3-14H,15-18H2,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-N-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide?
N-(2-methoxyphenyl)-N-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 466.56 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 27255421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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