N-(3,5-dibromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide

C17H19Br2N3O3S — CID 18354536

IUPACN-(3,5-dibromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Br)cc(Br)c2)cc1N1CCNCC1
InChIInChI=1S/C17H19Br2N3O3S/c1-25-17-3-2-15(11-16(17)22-6-4-20-5-7-22)26(23,24)21-14-9-12(18)8-13(19)10-14/h2-3,8-11,20-21H,4-7H2,1H3
InChIKeyUVOSGSZEWAWRAU-UHFFFAOYSA-N
MW505.23 g/mol
LogP3.43
Rot. Bonds5

About N-(3,5-dibromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide

N-(3,5-dibromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide (PubChem CID 18354536) has the molecular formula C17H19Br2N3O3S and a molecular weight of 505.23 g/mol. Its IUPAC name is N-(3,5-dibromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dibromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
PubChem CID18354536
Molecular FormulaC17H19Br2N3O3S
Molecular Weight505.23 g/mol
Exact Mass502.95
IUPAC NameN-(3,5-dibromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Br)cc(Br)c2)cc1N1CCNCC1
InChIInChI=1S/C17H19Br2N3O3S/c1-25-17-3-2-15(11-16(17)22-6-4-20-5-7-22)26(23,24)21-14-9-12(18)8-13(19)10-14/h2-3,8-11,20-21H,4-7H2,1H3
InChIKeyUVOSGSZEWAWRAU-UHFFFAOYSA-N
XLogP3.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.23
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide?
The IUPAC name of N-(3,5-dibromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide (CID 18354536) is N-(3,5-dibromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(3,5-dibromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide?
The canonical SMILES for N-(3,5-dibromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(Br)cc(Br)c2)cc1N1CCNCC1.
What is the InChIKey of N-(3,5-dibromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide?
The InChIKey is UVOSGSZEWAWRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2N3O3S/c1-25-17-3-2-15(11-16(17)22-6-4-20-5-7-22)26(23,24)21-14-9-12(18)8-13(19)10-14/h2-3,8-11,20-21H,4-7H2,1H3.
What are the key properties of N-(3,5-dibromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide?
N-(3,5-dibromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide has a molecular weight of 505.23 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide is sourced from PubChem (CID 18354536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).