1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine

C18H21ClN2O3S — CID 1279366

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1
InChIInChI=1S/C18H21ClN2O3S/c1-14-3-6-16(7-4-14)20-9-11-21(12-10-20)25(22,23)18-13-15(19)5-8-17(18)24-2/h3-8,13H,9-12H2,1-2H3
InChIKeyUFRALRAUEINMEL-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.17
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine

1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine (PubChem CID 1279366) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine
PubChem CID1279366
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1
InChIInChI=1S/C18H21ClN2O3S/c1-14-3-6-16(7-4-14)20-9-11-21(12-10-20)25(22,23)18-13-15(19)5-8-17(18)24-2/h3-8,13H,9-12H2,1-2H3
InChIKeyUFRALRAUEINMEL-UHFFFAOYSA-N
XLogP3.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.17
H-Bond Donors ≤ 50
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

1-((4-Chlorophenyl)sulfonyl)-4-(2-methoxyphenyl)piperazine
CID 1068085
(2R)-1-(2-Chloro-4-(difluoromethoxy)phenylsulfonyl)-4-(4-fluoro-2-(trifluoromethyl)phenyl)-2-methylpiperazine
CID 44248455
N-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide
CID 71584157
1-((2-Methoxy-5-methylphenyl)sulfonyl)-4-phenylpiperazine
CID 775526
1-[(5-Chloro-2-ethoxyphenyl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 1179548
1-(2-Methoxy-5-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1242019
1-[(5-Isopropyl-2-methoxyphenyl)sulfonyl]-4-phenylpiperazine
CID 1288554
1-(5-Chloro-2-ethoxybenzenesulfonyl)-4-(3,4-dimethylphenyl)piperazine
CID 1290133
1-[(2,5-Dimethoxyphenyl)sulfonyl]-4-(2-ethylphenyl)piperazine
CID 1298178
1-{[4-Chloro-3-(trifluoromethyl)phenyl]sulfonyl}-4-(4-methoxyphenyl)piperazine
CID 1305618
1-(5-Chloro-2-methoxyphenyl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 2280662
3-{4-[(5-chloro-2-methoxyphenyl)sulfonyl]piperazin-1-yl}-N-(4-methoxyphenyl)propanamide
CID 3236122

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine (CID 1279366) is 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine is COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(C)cc2)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine?
The InChIKey is UFRALRAUEINMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-14-3-6-16(7-4-14)20-9-11-21(12-10-20)25(22,23)18-13-15(19)5-8-17(18)24-2/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine?
1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine has a molecular weight of 380.90 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(4-methylphenyl)piperazine is sourced from PubChem (CID 1279366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).