1-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]methanesulfonamide

C19H24ClN3O2S — CID 2738598

IUPAC1-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]methanesulfonamide
SMILESCN1CCN(c2ccc(CNS(=O)(=O)Cc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C19H24ClN3O2S/c1-22-10-12-23(13-11-22)19-8-4-16(5-9-19)14-21-26(24,25)15-17-2-6-18(20)7-3-17/h2-9,21H,10-15H2,1H3
InChIKeySZXYLQCFPUYUFG-UHFFFAOYSA-N
MW393.94 g/mol
LogP2.71
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]methanesulfonamide

1-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]methanesulfonamide (PubChem CID 2738598) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]methanesulfonamide
PubChem CID2738598
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name1-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]methanesulfonamide
SMILESCN1CCN(c2ccc(CNS(=O)(=O)Cc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C19H24ClN3O2S/c1-22-10-12-23(13-11-22)19-8-4-16(5-9-19)14-21-26(24,25)15-17-2-6-18(20)7-3-17/h2-9,21H,10-15H2,1H3
InChIKeySZXYLQCFPUYUFG-UHFFFAOYSA-N
XLogP2.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738590
1-(Benzylsulfonyl)-4-phenylpiperazine
CID 871639
N-[4-(4-methylpiperazino)benzyl]benzenesulfonamide
CID 2738589
1-(5-Chloro-2-methylphenyl)-4-(methylsulfonyl)piperazine
CID 900483
N-(4-{[(4-Phenyl-piperazin-2-ylmethyl)-amino]-methyl}-phenyl)-methanesulfonamide
CID 14998846
N-{3-[Benzyl-(4-chloro-benzyl)-amino]-2-methyl-phenyl}-methanesulfonamide
CID 18512058
N-(2-((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)ethyl)cyclopropanesulfonamide
CID 46216704
N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]benzenesulfonamide
CID 71584050
4-chloro-N-[[4-(diethylamino)phenyl]methyl]-N-(4-methylphenyl)benzenesulfonamide
CID 71584279
N-[[4-(4-acetylpiperazin-1-yl)-2-fluorophenyl]methyl]-1-(4-chlorophenyl)-N-cyclobutylmethanesulfonamide
CID 89659216
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide
CID 89700962
N-(2-methylpropyl)-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]-1-phenylmethanesulfonamide
CID 89701145

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]methanesulfonamide (CID 2738598) is 1-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]methanesulfonamide is CN1CCN(c2ccc(CNS(=O)(=O)Cc3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]methanesulfonamide?
The InChIKey is SZXYLQCFPUYUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c1-22-10-12-23(13-11-22)19-8-4-16(5-9-19)14-21-26(24,25)15-17-2-6-18(20)7-3-17/h2-9,21H,10-15H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]methanesulfonamide has a molecular weight of 393.94 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 2738598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).