3,5-dichloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide

C18H21Cl2N3O3S — CID 10526615

IUPAC3,5-dichloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1N1CCN(C)CC1
InChIInChI=1S/C18H21Cl2N3O3S/c1-22-5-7-23(8-6-22)17-12-15(3-4-18(17)26-2)21-27(24,25)16-10-13(19)9-14(20)11-16/h3-4,9-12,21H,5-8H2,1-2H3
InChIKeyTXBZLOLLOHEAOS-UHFFFAOYSA-N
MW430.36 g/mol
LogP3.55
Rot. Bonds5

About 3,5-dichloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide

3,5-dichloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide (PubChem CID 10526615) has the molecular formula C18H21Cl2N3O3S and a molecular weight of 430.36 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
PubChem CID10526615
Molecular FormulaC18H21Cl2N3O3S
Molecular Weight430.36 g/mol
Exact Mass429.07
IUPAC Name3,5-dichloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1N1CCN(C)CC1
InChIInChI=1S/C18H21Cl2N3O3S/c1-22-5-7-23(8-6-22)17-12-15(3-4-18(17)26-2)21-27(24,25)16-10-13(19)9-14(20)11-16/h3-4,9-12,21H,5-8H2,1-2H3
InChIKeyTXBZLOLLOHEAOS-UHFFFAOYSA-N
XLogP3.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-dichloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide with MolForge

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Related Compounds

SB-399885
CID 6918649
SB 258585
CID 3248571
1-((4-Chlorophenyl)sulfonyl)-4-(2-methoxyphenyl)piperazine
CID 1068085
4-Bromo-N-[4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-benzenesulfonamide
CID 6918647
3-iodo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 10648664
N-(3,5-dichlorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940212
3-iodo-N-(4-methoxy-3-piperazin-1-ylphenyl)benzenesulfonamide
CID 18180191
4-(2,6-Dichlorophenyl)sulfonyl-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
CID 22557235
2,4-dichloro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 44431602
3-chloro-2-fluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 44431607
4-(125I)iodo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 10743500
N-(2-chlorophenyl)-4-methoxy-3-(piperidin-4-ylamino)benzenesulfonamide
CID 49863061

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide (CID 10526615) is 3,5-dichloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1N1CCN(C)CC1.
What is the InChIKey of 3,5-dichloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is TXBZLOLLOHEAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O3S/c1-22-5-7-23(8-6-22)17-12-15(3-4-18(17)26-2)21-27(24,25)16-10-13(19)9-14(20)11-16/h3-4,9-12,21H,5-8H2,1-2H3.
What are the key properties of 3,5-dichloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide?
3,5-dichloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 430.36 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10526615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).