2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide

C11H16BrN3O2S — CID 78910879

IUPAC2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCN1CCN(NS(=O)(=O)c2ccccc2Br)CC1
InChIInChI=1S/C11H16BrN3O2S/c1-14-6-8-15(9-7-14)13-18(16,17)11-5-3-2-4-10(11)12/h2-5,13H,6-9H2,1H3
InChIKeyFWXUFQZFTQORPG-UHFFFAOYSA-N
MW334.24 g/mol
LogP0.89
Rot. Bonds3

About 2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide

2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide (PubChem CID 78910879) has the molecular formula C11H16BrN3O2S and a molecular weight of 334.24 g/mol. Its IUPAC name is 2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide
PubChem CID78910879
Molecular FormulaC11H16BrN3O2S
Molecular Weight334.24 g/mol
Exact Mass333.01
IUPAC Name2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCN1CCN(NS(=O)(=O)c2ccccc2Br)CC1
InChIInChI=1S/C11H16BrN3O2S/c1-14-6-8-15(9-7-14)13-18(16,17)11-5-3-2-4-10(11)12/h2-5,13H,6-9H2,1H3
InChIKeyFWXUFQZFTQORPG-UHFFFAOYSA-N
XLogP0.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dibromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83023744
2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60703082
2-bromo-N-methylbenzenesulfonamide
CID 850141
4-bromo-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 78909287
2-chloro-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
CID 83013823
2-(3-hydroxyprop-1-ynyl)-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83016568
1-(2-bromophenyl)sulfonyl-4-methyl-1,4-diazepane
CID 2468104
2-bromo-5-(methylaminomethyl)-N-(4-methylpiperazin-1-yl)furan-3-sulfonamide
CID 106075537
5-bromo-4-[(4-methylpiperazin-1-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 83005831
2-bromo-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 113228817
4-[(4-methylpiperazin-1-yl)sulfamoyl]benzenesulfonyl fluoride
CID 114958433
4-amino-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83013225

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide (CID 78910879) is 2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide is CN1CCN(NS(=O)(=O)c2ccccc2Br)CC1.
What is the InChIKey of 2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The InChIKey is FWXUFQZFTQORPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2S/c1-14-6-8-15(9-7-14)13-18(16,17)11-5-3-2-4-10(11)12/h2-5,13H,6-9H2,1H3.
What are the key properties of 2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide has a molecular weight of 334.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 78910879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).