1-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide

C20H26ClN3O3S — CID 29344517

IUPAC1-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide
SMILESCOc1ccc(N2CCN(CCNS(=O)(=O)Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C20H26ClN3O3S/c1-27-19-8-6-18(7-9-19)24-14-12-23(13-15-24)11-10-22-28(25,26)16-17-4-2-3-5-20(17)21/h2-9,22H,10-16H2,1H3
InChIKeyRGTQLLZQNQUDGN-UHFFFAOYSA-N
MW423.97 g/mol
LogP2.59
Rot. Bonds8

About 1-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide

1-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide (PubChem CID 29344517) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide
PubChem CID29344517
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC Name1-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide
SMILESCOc1ccc(N2CCN(CCNS(=O)(=O)Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C20H26ClN3O3S/c1-27-19-8-6-18(7-9-19)24-14-12-23(13-15-24)11-10-22-28(25,26)16-17-4-2-3-5-20(17)21/h2-9,22H,10-16H2,1H3
InChIKeyRGTQLLZQNQUDGN-UHFFFAOYSA-N
XLogP2.59
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide (CID 29344517) is 1-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide is COc1ccc(N2CCN(CCNS(=O)(=O)Cc3ccccc3Cl)CC2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide?
The InChIKey is RGTQLLZQNQUDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3S/c1-27-19-8-6-18(7-9-19)24-14-12-23(13-15-24)11-10-22-28(25,26)16-17-4-2-3-5-20(17)21/h2-9,22H,10-16H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide has a molecular weight of 423.97 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 29344517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).