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

C18H22ClN3O2S — CID 2831759

IUPAC4-chloro-N-(2-phenyl-2-piperazin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccccc1)N1CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O2S/c19-16-6-8-17(9-7-16)25(23,24)21-14-18(15-4-2-1-3-5-15)22-12-10-20-11-13-22/h1-9,18,20-21H,10-14H2
InChIKeyOCHOVJBRJLQERP-UHFFFAOYSA-N
MW379.91 g/mol
LogP2.26
Rot. Bonds6

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

4-chloro-N-(2-phenyl-2-piperazin-1-ylethyl)benzenesulfonamide (PubChem CID 2831759) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is 4-chloro-N-(2-phenyl-2-piperazin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-phenyl-2-piperazin-1-ylethyl)benzenesulfonamide
PubChem CID2831759
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC Name4-chloro-N-(2-phenyl-2-piperazin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccccc1)N1CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O2S/c19-16-6-8-17(9-7-16)25(23,24)21-14-18(15-4-2-1-3-5-15)22-12-10-20-11-13-22/h1-9,18,20-21H,10-14H2
InChIKeyOCHOVJBRJLQERP-UHFFFAOYSA-N
XLogP2.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-phenyl-2-piperazin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-phenyl-2-piperazin-1-ylethyl)benzenesulfonamide (CID 2831759) is 4-chloro-N-(2-phenyl-2-piperazin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-phenyl-2-piperazin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-phenyl-2-piperazin-1-ylethyl)benzenesulfonamide is O=S(=O)(NCC(c1ccccc1)N1CCNCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-phenyl-2-piperazin-1-ylethyl)benzenesulfonamide?
The InChIKey is OCHOVJBRJLQERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2S/c19-16-6-8-17(9-7-16)25(23,24)21-14-18(15-4-2-1-3-5-15)22-12-10-20-11-13-22/h1-9,18,20-21H,10-14H2.
What are the key properties of 4-chloro-N-(2-phenyl-2-piperazin-1-ylethyl)benzenesulfonamide?
4-chloro-N-(2-phenyl-2-piperazin-1-ylethyl)benzenesulfonamide has a molecular weight of 379.91 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-phenyl-2-piperazin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 2831759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).