N-(3-bromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide

C17H20BrN3O3S — CID 18354589

IUPACN-(3-bromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1N1CCNCC1
InChIInChI=1S/C17H20BrN3O3S/c1-24-17-6-5-15(12-16(17)21-9-7-19-8-10-21)25(22,23)20-14-4-2-3-13(18)11-14/h2-6,11-12,19-20H,7-10H2,1H3
InChIKeyMOVUYASQFVYATN-UHFFFAOYSA-N
MW426.34 g/mol
LogP2.67
Rot. Bonds5

About N-(3-bromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide

N-(3-bromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide (PubChem CID 18354589) has the molecular formula C17H20BrN3O3S and a molecular weight of 426.34 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
PubChem CID18354589
Molecular FormulaC17H20BrN3O3S
Molecular Weight426.34 g/mol
Exact Mass425.04
IUPAC NameN-(3-bromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1N1CCNCC1
InChIInChI=1S/C17H20BrN3O3S/c1-24-17-6-5-15(12-16(17)21-9-7-19-8-10-21)25(22,23)20-14-4-2-3-13(18)11-14/h2-6,11-12,19-20H,7-10H2,1H3
InChIKeyMOVUYASQFVYATN-UHFFFAOYSA-N
XLogP2.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

SB-357134
CID 6918553
4-Bromo-N-[4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-benzenesulfonamide
CID 6918647
N-(2,5-dibromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 10346043
N-(5-iodo-2-methylphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940101
7-bromo-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 17940125
N-(3,5-dichlorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940212
N-(3-iodophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940215
4-methoxy-3-piperazin-1-yl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 17940224
N-(3,5-dibromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 18354536
5-bromo-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-2-methoxybenzenesulfonamide
CID 44431587
5-Amino-N-(2-methoxy-phenyl)-2-piperidin-1-yl-benzenesulfonamide
CID 2947325
rac-N-[(1R,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784696

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide?
The IUPAC name of N-(3-bromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide (CID 18354589) is N-(3-bromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide?
The canonical SMILES for N-(3-bromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1N1CCNCC1.
What is the InChIKey of N-(3-bromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide?
The InChIKey is MOVUYASQFVYATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O3S/c1-24-17-6-5-15(12-16(17)21-9-7-19-8-10-21)25(22,23)20-14-4-2-3-13(18)11-14/h2-6,11-12,19-20H,7-10H2,1H3.
What are the key properties of N-(3-bromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide?
N-(3-bromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide has a molecular weight of 426.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide is sourced from PubChem (CID 18354589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).