5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide

C18H22ClN3O3S — CID 71730053

IUPAC5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C18H22ClN3O3S/c1-21-9-11-22(12-10-21)16-6-4-15(5-7-16)20-26(23,24)18-13-14(19)3-8-17(18)25-2/h3-8,13,20H,9-12H2,1-2H3
InChIKeyZUACPKXRKSJZGE-UHFFFAOYSA-N
MW395.91 g/mol
LogP2.90
Rot. Bonds5

About 5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide

5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide (PubChem CID 71730053) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
PubChem CID71730053
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C18H22ClN3O3S/c1-21-9-11-22(12-10-21)16-6-4-15(5-7-16)20-26(23,24)18-13-14(19)3-8-17(18)25-2/h3-8,13,20H,9-12H2,1-2H3
InChIKeyZUACPKXRKSJZGE-UHFFFAOYSA-N
XLogP2.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-((4-Chlorophenyl)sulfonyl)-4-(2-methoxyphenyl)piperazine
CID 1068085
5-chloro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-2-methoxybenzenesulfonamide
CID 17753379
3-chloro-2-fluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 44431607
1-[(4-Chloro-3-methoxyphenyl)sulfonyl]-4-(2-fluorophenyl)piperazine
CID 1260301
1-(3,4-Dichloro-2-methoxybenzenesulfonyl)-4-(4-fluorophenyl)piperazine
CID 2921244
3-{4-[(5-chloro-2-methoxyphenyl)sulfonyl]piperazin-1-yl}-N-(4-ethoxyphenyl)propanamide
CID 3238060
3,5-dichloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 10526615
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940113
N-(3-chlorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940155
4-Methoxy-N-[3-(4-phenyl-piperazin-1-yl)-1-methyl-propyl]-benzenesulfonamide
CID 42635572
5-chloro-2-fluoro-N-((1s,4s)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 44431612
1-((4-Chloro-3-methoxyphenyl)sulfonyl)-4-(4-fluorophenyl)piperazine
CID 660922

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide (CID 71730053) is 5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is ZUACPKXRKSJZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-21-9-11-22(12-10-21)16-6-4-15(5-7-16)20-26(23,24)18-13-14(19)3-8-17(18)25-2/h3-8,13,20H,9-12H2,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide?
5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 395.91 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 71730053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).