4-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide

C12H17BrClN3O2S — CID 43599807

IUPAC4-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCNCC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H17BrClN3O2S/c13-10-1-2-12(11(14)9-10)20(18,19)16-5-8-17-6-3-15-4-7-17/h1-2,9,15-16H,3-8H2
InChIKeyOOPDXEQGWDLEIE-UHFFFAOYSA-N
MW382.71 g/mol
LogP1.29
Rot. Bonds5

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

4-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide (PubChem CID 43599807) has the molecular formula C12H17BrClN3O2S and a molecular weight of 382.71 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
PubChem CID43599807
Molecular FormulaC12H17BrClN3O2S
Molecular Weight382.71 g/mol
Exact Mass380.99
IUPAC Name4-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCNCC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H17BrClN3O2S/c13-10-1-2-12(11(14)9-10)20(18,19)16-5-8-17-6-3-15-4-7-17/h1-2,9,15-16H,3-8H2
InChIKeyOOPDXEQGWDLEIE-UHFFFAOYSA-N
XLogP1.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.71
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966552
4-bromo-2-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120707438
4-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 116527840
3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 106606518
4-bromo-2-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 120706365
2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 115752213
3-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120999791
3-bromo-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599810
2-chloro-4-nitro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119994665
2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 61059343
3-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966394
3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599808

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide (CID 43599807) is 4-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide is O=S(=O)(NCCN1CCNCC1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The InChIKey is OOPDXEQGWDLEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClN3O2S/c13-10-1-2-12(11(14)9-10)20(18,19)16-5-8-17-6-3-15-4-7-17/h1-2,9,15-16H,3-8H2.
What are the key properties of 4-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
4-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide has a molecular weight of 382.71 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 43599807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).