3-bromo-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide

C12H18BrN3O2S — CID 156599254

IUPAC3-bromo-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCN(C)CC2)c(Br)c1
InChIInChI=1S/C12H18BrN3O2S/c1-14-19(17,18)10-3-4-12(11(13)9-10)16-7-5-15(2)6-8-16/h3-4,9,14H,5-8H2,1-2H3
InChIKeyZSBPGFSNLIIGCL-UHFFFAOYSA-N
MW348.27 g/mol
LogP1.11
Rot. Bonds3

About 3-bromo-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide

3-bromo-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide (PubChem CID 156599254) has the molecular formula C12H18BrN3O2S and a molecular weight of 348.27 g/mol. Its IUPAC name is 3-bromo-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide
PubChem CID156599254
Molecular FormulaC12H18BrN3O2S
Molecular Weight348.27 g/mol
Exact Mass347.03
IUPAC Name3-bromo-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCN(C)CC2)c(Br)c1
InChIInChI=1S/C12H18BrN3O2S/c1-14-19(17,18)10-3-4-12(11(13)9-10)16-7-5-15(2)6-8-16/h3-4,9,14H,5-8H2,1-2H3
InChIKeyZSBPGFSNLIIGCL-UHFFFAOYSA-N
XLogP1.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 43449085
3-amino-N-methyl-4-(4-propylpiperazin-1-yl)benzenesulfonamide
CID 43449093
3-amino-4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylbenzenesulfonamide
CID 43581378
1-(2-bromo-4-propan-2-ylphenyl)-4-methylpiperazine
CID 177267387
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3,4-difluorobenzenesulfonamide
CID 78787086
1-(2-bromo-4-propan-2-ylsulfonylphenyl)pyrrolidine
CID 168940834
4-amino-3-(azepan-1-yl)-N-methylbenzenesulfonamide
CID 82899212
4-(4-methylpiperazin-1-yl)-3-(methylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
CID 99967016
4-(4-acetylpiperazin-1-yl)-N-methyl-3-nitrobenzenesulfonamide
CID 9279383
4-(4-fluoropiperidin-1-yl)-N-methyl-3-nitrobenzenesulfonamide
CID 67992994
3-amino-N-methyl-4-(4-methylpiperidin-1-yl)benzenesulfonamide
CID 43449076
(1S)-1-[3-bromo-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939151

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide (CID 156599254) is 3-bromo-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide is CNS(=O)(=O)c1ccc(N2CCN(C)CC2)c(Br)c1.
What is the InChIKey of 3-bromo-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide?
The InChIKey is ZSBPGFSNLIIGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2S/c1-14-19(17,18)10-3-4-12(11(13)9-10)16-7-5-15(2)6-8-16/h3-4,9,14H,5-8H2,1-2H3.
What are the key properties of 3-bromo-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide?
3-bromo-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide has a molecular weight of 348.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-4-(4-methylpiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 156599254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).