4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide

C13H20BrN3O2S — CID 43605186

IUPAC4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2CCNCC2)ccc1Br
InChIInChI=1S/C13H20BrN3O2S/c1-11-10-12(2-3-13(11)14)20(18,19)16-6-9-17-7-4-15-5-8-17/h2-3,10,15-16H,4-9H2,1H3
InChIKeyMDUYFQYKNKVSAT-UHFFFAOYSA-N
MW362.29 g/mol
LogP0.94
Rot. Bonds5

About 4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide

4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide (PubChem CID 43605186) has the molecular formula C13H20BrN3O2S and a molecular weight of 362.29 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
PubChem CID43605186
Molecular FormulaC13H20BrN3O2S
Molecular Weight362.29 g/mol
Exact Mass361.05
IUPAC Name4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2CCNCC2)ccc1Br
InChIInChI=1S/C13H20BrN3O2S/c1-11-10-12(2-3-13(11)14)20(18,19)16-6-9-17-7-4-15-5-8-17/h2-3,10,15-16H,4-9H2,1H3
InChIKeyMDUYFQYKNKVSAT-UHFFFAOYSA-N
XLogP0.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966394
3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 106606518
3-bromo-4-nitro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966169
3-bromo-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599810
3-fluoro-4-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43607069
4-bromo-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 63265210
4-bromo-2-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120707438
4-bromo-3-methyl-N-propylbenzenesulfonamide
CID 2439945
2-bromo-5-methoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966429
4-fluoro-3,5-dimethyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119994706
2-bromo-5-methoxy-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966428
1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride
CID 119966651

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide (CID 43605186) is 4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCCN2CCNCC2)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The InChIKey is MDUYFQYKNKVSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2S/c1-11-10-12(2-3-13(11)14)20(18,19)16-6-9-17-7-4-15-5-8-17/h2-3,10,15-16H,4-9H2,1H3.
What are the key properties of 4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide has a molecular weight of 362.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 43605186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).