5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide

C21H28ClN3O3S — CID 42388721

IUPAC5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide
SMILESCOc1ccccc1N1CCN(CCCNS(=O)(=O)c2cc(Cl)ccc2C)CC1
InChIInChI=1S/C21H28ClN3O3S/c1-17-8-9-18(22)16-21(17)29(26,27)23-10-5-11-24-12-14-25(15-13-24)19-6-3-4-7-20(19)28-2/h3-4,6-9,16,23H,5,10-15H2,1-2H3
InChIKeyXTGSVCKNIMZKFS-UHFFFAOYSA-N
MW437.99 g/mol
LogP3.15
Rot. Bonds8

About 5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide

5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide (PubChem CID 42388721) has the molecular formula C21H28ClN3O3S and a molecular weight of 437.99 g/mol. Its IUPAC name is 5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide
PubChem CID42388721
Molecular FormulaC21H28ClN3O3S
Molecular Weight437.99 g/mol
Exact Mass437.15
IUPAC Name5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide
SMILESCOc1ccccc1N1CCN(CCCNS(=O)(=O)c2cc(Cl)ccc2C)CC1
InChIInChI=1S/C21H28ClN3O3S/c1-17-8-9-18(22)16-21(17)29(26,27)23-10-5-11-24-12-14-25(15-13-24)19-6-3-4-7-20(19)28-2/h3-4,6-9,16,23H,5,10-15H2,1-2H3
InChIKeyXTGSVCKNIMZKFS-UHFFFAOYSA-N
XLogP3.15
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.99
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(dimethylamino)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-1-sulfonamide
CID 44598727
5-chloro-2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267469
1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine
CID 110284680
4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylbenzenesulfonamide
CID 42267853
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217
2-bromo-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 42267824
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42388653
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-nitrobenzenesulfonamide
CID 42267812
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylsulfamoyl]cyclopentanamine
CID 110624557
5-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole
CID 11740820
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3,4-dimethoxybenzenesulfonamide
CID 42388939
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 42389503

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide (CID 42388721) is 5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide is COc1ccccc1N1CCN(CCCNS(=O)(=O)c2cc(Cl)ccc2C)CC1.
What is the InChIKey of 5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide?
The InChIKey is XTGSVCKNIMZKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O3S/c1-17-8-9-18(22)16-21(17)29(26,27)23-10-5-11-24-12-14-25(15-13-24)19-6-3-4-7-20(19)28-2/h3-4,6-9,16,23H,5,10-15H2,1-2H3.
What are the key properties of 5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide?
5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide has a molecular weight of 437.99 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 42388721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).