3-phenyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide

C18H23N3O2S — CID 120999788

IUPAC3-phenyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCNCC1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H23N3O2S/c22-24(23,20-11-14-21-12-9-19-10-13-21)18-8-4-7-17(15-18)16-5-2-1-3-6-16/h1-8,15,19-20H,9-14H2
InChIKeyWCEXAFXQDQQVKR-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.54
Rot. Bonds6

About 3-phenyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide

3-phenyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide (PubChem CID 120999788) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-phenyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-phenyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
PubChem CID120999788
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name3-phenyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCNCC1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H23N3O2S/c22-24(23,20-11-14-21-12-9-19-10-13-21)18-8-4-7-17(15-18)16-5-2-1-3-6-16/h1-8,15,19-20H,9-14H2
InChIKeyWCEXAFXQDQQVKR-UHFFFAOYSA-N
XLogP1.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599810
3-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966394
3-[4-[[(4-fluorophenyl)methylamino]methyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 44523819
3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 106606518
3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599808
3-cyano-N-(3-piperazin-1-ylpropyl)benzenesulfonamide;dihydrochloride
CID 119994501
1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 43599791
4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43605186
4-nitro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966206
2-fluoro-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 120707517
methyl 3-(3-piperazin-1-ylpropylsulfamoyl)benzoate
CID 119994766
N-(2-piperazin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 119966218

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 3-phenyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide (CID 120999788) is 3-phenyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-phenyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-phenyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide is O=S(=O)(NCCN1CCNCC1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-phenyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
The InChIKey is WCEXAFXQDQQVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c22-24(23,20-11-14-21-12-9-19-10-13-21)18-8-4-7-17(15-18)16-5-2-1-3-6-16/h1-8,15,19-20H,9-14H2.
What are the key properties of 3-phenyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide?
3-phenyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide has a molecular weight of 345.47 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 120999788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).