N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide

C24H28N4O3S — CID 3236903

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESCOc1ccccc1N1CCN(C(CNS(=O)(=O)c2ccccc2)c2cccnc2)CC1
InChIInChI=1S/C24H28N4O3S/c1-31-24-12-6-5-11-22(24)27-14-16-28(17-15-27)23(20-8-7-13-25-18-20)19-26-32(29,30)21-9-3-2-4-10-21/h2-13,18,23,26H,14-17,19H2,1H3
InChIKeyFWTMKPQTYIGYDW-UHFFFAOYSA-N
MW452.58 g/mol
LogP2.93
Rot. Bonds8

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide (PubChem CID 3236903) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
PubChem CID3236903
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESCOc1ccccc1N1CCN(C(CNS(=O)(=O)c2ccccc2)c2cccnc2)CC1
InChIInChI=1S/C24H28N4O3S/c1-31-24-12-6-5-11-22(24)27-14-16-28(17-15-27)23(20-8-7-13-25-18-20)19-26-32(29,30)21-9-3-2-4-10-21/h2-13,18,23,26H,14-17,19H2,1H3
InChIKeyFWTMKPQTYIGYDW-UHFFFAOYSA-N
XLogP2.93
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide (CID 3236903) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide is COc1ccccc1N1CCN(C(CNS(=O)(=O)c2ccccc2)c2cccnc2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide?
The InChIKey is FWTMKPQTYIGYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-31-24-12-6-5-11-22(24)27-14-16-28(17-15-27)23(20-8-7-13-25-18-20)19-26-32(29,30)21-9-3-2-4-10-21/h2-13,18,23,26H,14-17,19H2,1H3.
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide has a molecular weight of 452.58 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 3236903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).