4-methoxy-3-piperazin-1-yl-N-(2,3,5-trichlorophenyl)benzenesulfonamide

C17H18Cl3N3O3S — CID 10433930

IUPAC4-methoxy-3-piperazin-1-yl-N-(2,3,5-trichlorophenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2Cl)cc1N1CCNCC1
InChIInChI=1S/C17H18Cl3N3O3S/c1-26-16-3-2-12(10-15(16)23-6-4-21-5-7-23)27(24,25)22-14-9-11(18)8-13(19)17(14)20/h2-3,8-10,21-22H,4-7H2,1H3
InChIKeyILTMQKYWOPLCSC-UHFFFAOYSA-N
MW450.78 g/mol
LogP3.87
Rot. Bonds5

About 4-methoxy-3-piperazin-1-yl-N-(2,3,5-trichlorophenyl)benzenesulfonamide

4-methoxy-3-piperazin-1-yl-N-(2,3,5-trichlorophenyl)benzenesulfonamide (PubChem CID 10433930) has the molecular formula C17H18Cl3N3O3S and a molecular weight of 450.78 g/mol. Its IUPAC name is 4-methoxy-3-piperazin-1-yl-N-(2,3,5-trichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-piperazin-1-yl-N-(2,3,5-trichlorophenyl)benzenesulfonamide
PubChem CID10433930
Molecular FormulaC17H18Cl3N3O3S
Molecular Weight450.78 g/mol
Exact Mass449.01
IUPAC Name4-methoxy-3-piperazin-1-yl-N-(2,3,5-trichlorophenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2Cl)cc1N1CCNCC1
InChIInChI=1S/C17H18Cl3N3O3S/c1-26-16-3-2-12(10-15(16)23-6-4-21-5-7-23)27(24,25)22-14-9-11(18)8-13(19)17(14)20/h2-3,8-10,21-22H,4-7H2,1H3
InChIKeyILTMQKYWOPLCSC-UHFFFAOYSA-N
XLogP3.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.78
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

SB-399885
CID 6918649
1-((4-Chlorophenyl)sulfonyl)-4-(2-methoxyphenyl)piperazine
CID 1068085
N-(3,5-dichlorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940212
N-(3-iodophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940215
5,7-dichloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 18354548
N-(3,5-Dichloro-2-methoxyphenyl)-4-methoxy-[(1-methylpiperidin-4-yl)amino]benzenesulfonamide
CID 46911719
N-(2-chlorophenyl)-4-methoxy-3-(piperidin-4-ylamino)benzenesulfonamide
CID 49863061
N-(2-chlorophenyl)-4-methoxy-3-[methyl(piperidin-4-yl)amino]benzenesulfonamide
CID 49863101
N-(2-chlorophenyl)-4-methoxy-3-[(1-methylpiperidin-4-yl)amino]benzenesulfonamide
CID 49863126
N-(2,4-dichloro-5-methoxyphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 168298034
3,5-dichloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 10526615
N-(2-chloro-3,5-difluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940055

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-piperazin-1-yl-N-(2,3,5-trichlorophenyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-piperazin-1-yl-N-(2,3,5-trichlorophenyl)benzenesulfonamide (CID 10433930) is 4-methoxy-3-piperazin-1-yl-N-(2,3,5-trichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-piperazin-1-yl-N-(2,3,5-trichlorophenyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-piperazin-1-yl-N-(2,3,5-trichlorophenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2Cl)cc1N1CCNCC1.
What is the InChIKey of 4-methoxy-3-piperazin-1-yl-N-(2,3,5-trichlorophenyl)benzenesulfonamide?
The InChIKey is ILTMQKYWOPLCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl3N3O3S/c1-26-16-3-2-12(10-15(16)23-6-4-21-5-7-23)27(24,25)22-14-9-11(18)8-13(19)17(14)20/h2-3,8-10,21-22H,4-7H2,1H3.
What are the key properties of 4-methoxy-3-piperazin-1-yl-N-(2,3,5-trichlorophenyl)benzenesulfonamide?
4-methoxy-3-piperazin-1-yl-N-(2,3,5-trichlorophenyl)benzenesulfonamide has a molecular weight of 450.78 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-piperazin-1-yl-N-(2,3,5-trichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 10433930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).