N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide

C20H27N3O2S — CID 16810756

IUPACN-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(CNS(=O)(=O)c2ccccc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H27N3O2S/c1-17-8-10-18(11-9-17)20(23-14-12-22(2)13-15-23)16-21-26(24,25)19-6-4-3-5-7-19/h3-11,20-21H,12-16H2,1-2H3
InChIKeyWAAOWWKXNDVTIY-UHFFFAOYSA-N
MW373.52 g/mol
LogP2.26
Rot. Bonds6

About N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide

N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 16810756) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
PubChem CID16810756
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(CNS(=O)(=O)c2ccccc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H27N3O2S/c1-17-8-10-18(11-9-17)20(23-14-12-22(2)13-15-23)16-21-26(24,25)19-6-4-3-5-7-19/h3-11,20-21H,12-16H2,1-2H3
InChIKeyWAAOWWKXNDVTIY-UHFFFAOYSA-N
XLogP2.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pf-04455242
CID 44599828
4''-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-biphenyl-4-sulfonic Acid Ethylamide
CID 23649185
N-benzyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
CID 24886136
1-(Benzenesulfonyl)-4-benzylpiperazine
CID 711024
(1S,2S)-(+)-N-p-Tosyl-1,2-diphenylethylenediamine
CID 6612782
N-(2-Amino-1-methyl-1-phenyl-ethyl)-benzenesulfonamide
CID 3122816
1-(2-Phenylethyl)-4-(phenylsulfonyl)piperazine
CID 6467663
4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 9207921
N-[(2S)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 16242636
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzenesulfonamide
CID 583321
1-(3-Fluorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 764400
1-(1-Benzyl-4-piperidinyl)-4-(phenylsulfonyl)piperazine
CID 1131737

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide (CID 16810756) is N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide is Cc1ccc(C(CNS(=O)(=O)c2ccccc2)N2CCN(C)CC2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is WAAOWWKXNDVTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-17-8-10-18(11-9-17)20(23-14-12-22(2)13-15-23)16-21-26(24,25)19-6-4-3-5-7-19/h3-11,20-21H,12-16H2,1-2H3.
What are the key properties of N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide?
N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 373.52 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16810756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).