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

C11H15BrClN3O2S — CID 78909287

IUPAC4-bromo-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCN1CCN(NS(=O)(=O)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C11H15BrClN3O2S/c1-15-4-6-16(7-5-15)14-19(17,18)11-3-2-9(12)8-10(11)13/h2-3,8,14H,4-7H2,1H3
InChIKeyVHORDLJGHOGHIZ-UHFFFAOYSA-N
MW368.68 g/mol
LogP1.54
Rot. Bonds3

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

4-bromo-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide (PubChem CID 78909287) has the molecular formula C11H15BrClN3O2S and a molecular weight of 368.68 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide
PubChem CID78909287
Molecular FormulaC11H15BrClN3O2S
Molecular Weight368.68 g/mol
Exact Mass366.98
IUPAC Name4-bromo-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide
SMILESCN1CCN(NS(=O)(=O)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C11H15BrClN3O2S/c1-15-4-6-16(7-5-15)14-19(17,18)11-3-2-9(12)8-10(11)13/h2-3,8,14H,4-7H2,1H3
InChIKeyVHORDLJGHOGHIZ-UHFFFAOYSA-N
XLogP1.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.68
LogP ≤ 51.54
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
4-amino-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83013225
2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 78910879
2-chloro-5-cyano-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83016262
4-chloro-3-[(4-methylpiperazin-1-yl)sulfamoyl]benzenecarbothioamide
CID 83017427
2-chloro-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
CID 83013823
5-bromo-2-(methylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
CID 83022745
4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
CID 42997510
N-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 66186086
2-bromo-5-(methylaminomethyl)-N-(4-methylpiperazin-1-yl)furan-3-sulfonamide
CID 106075537
4-bromo-2-chloro-1-methylsulfonylbenzene
CID 23093061
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide (CID 78909287) is 4-bromo-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide is CN1CCN(NS(=O)(=O)c2ccc(Br)cc2Cl)CC1.
What is the InChIKey of 4-bromo-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
The InChIKey is VHORDLJGHOGHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN3O2S/c1-15-4-6-16(7-5-15)14-19(17,18)11-3-2-9(12)8-10(11)13/h2-3,8,14H,4-7H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide?
4-bromo-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide has a molecular weight of 368.68 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(4-methylpiperazin-1-yl)benzenesulfonamide is sourced from PubChem (CID 78909287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).