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

C14H22BrN3O2S — CID 63265210

IUPAC4-bromo-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCN2CCNCC2)ccc1Br
InChIInChI=1S/C14H22BrN3O2S/c1-12-11-13(3-4-14(12)15)21(19,20)17(2)9-10-18-7-5-16-6-8-18/h3-4,11,16H,5-10H2,1-2H3
InChIKeyWOCPZNMXSYDNKB-UHFFFAOYSA-N
MW376.32 g/mol
LogP1.28
Rot. Bonds5

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

4-bromo-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide (PubChem CID 63265210) has the molecular formula C14H22BrN3O2S and a molecular weight of 376.32 g/mol. Its IUPAC name is 4-bromo-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
PubChem CID63265210
Molecular FormulaC14H22BrN3O2S
Molecular Weight376.32 g/mol
Exact Mass375.06
IUPAC Name4-bromo-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCN2CCNCC2)ccc1Br
InChIInChI=1S/C14H22BrN3O2S/c1-12-11-13(3-4-14(12)15)21(19,20)17(2)9-10-18-7-5-16-6-8-18/h3-4,11,16H,5-10H2,1-2H3
InChIKeyWOCPZNMXSYDNKB-UHFFFAOYSA-N
XLogP1.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide;hydrochloride
CID 119967420
3-fluoro-N-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 63265596
4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43605186
4-bromo-N-butyl-N,3-dimethylbenzenesulfonamide
CID 54917653
4-(aminomethyl)-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 106919384
1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine
CID 82264462
4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide
CID 62067489
1-(4-bromo-3-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264457
N-[(2-bromo-5-chlorophenyl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 66158239
4-cyano-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63211293
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzenesulfonamide
CID 63420380
2-bromo-N,4-dimethyl-N-(2-piperazin-1-ylethyl)aniline
CID 117029360

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide (CID 63265210) is 4-bromo-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)N(C)CCN2CCNCC2)ccc1Br.
What is the InChIKey of 4-bromo-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The InChIKey is WOCPZNMXSYDNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2S/c1-12-11-13(3-4-14(12)15)21(19,20)17(2)9-10-18-7-5-16-6-8-18/h3-4,11,16H,5-10H2,1-2H3.
What are the key properties of 4-bromo-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
4-bromo-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide has a molecular weight of 376.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,3-dimethyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 63265210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).