3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide

C12H17Cl2N3O2S — CID 43599808

IUPAC3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCNCC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H17Cl2N3O2S/c13-10-7-11(14)9-12(8-10)20(18,19)16-3-6-17-4-1-15-2-5-17/h7-9,15-16H,1-6H2
InChIKeyOIDDYMKUGSZKTR-UHFFFAOYSA-N
MW338.26 g/mol
LogP1.18
Rot. Bonds5

About 3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide

3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide (PubChem CID 43599808) has the molecular formula C12H17Cl2N3O2S and a molecular weight of 338.26 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
PubChem CID43599808
Molecular FormulaC12H17Cl2N3O2S
Molecular Weight338.26 g/mol
Exact Mass337.04
IUPAC Name3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCNCC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H17Cl2N3O2S/c13-10-7-11(14)9-12(8-10)20(18,19)16-3-6-17-4-1-15-2-5-17/h7-9,15-16H,1-6H2
InChIKeyOIDDYMKUGSZKTR-UHFFFAOYSA-N
XLogP1.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966394
3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 106606518
4-chloro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43443247
2,6-dichloro-4-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 120999799
3-bromo-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599810
4-(3-chlorophenoxy)-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966272
3-phenyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 120999788
N-(2-piperazin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 119966218
2-chloro-5-fluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 115752213
4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43605186
4-bromo-2-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599807
5-chloro-4-methyl-N-(2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 103100358

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide (CID 43599808) is 3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide is O=S(=O)(NCCN1CCNCC1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The InChIKey is OIDDYMKUGSZKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3O2S/c13-10-7-11(14)9-12(8-10)20(18,19)16-3-6-17-4-1-15-2-5-17/h7-9,15-16H,1-6H2.
What are the key properties of 3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide has a molecular weight of 338.26 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 43599808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).