N-benzyl-N-[3-(3-phenylpiperazin-1-yl)phenyl]benzenesulfonamide

C29H29N3O2S — CID 46182229

IUPACN-benzyl-N-[3-(3-phenylpiperazin-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccc1)c1cccc(N2CCNC(c3ccccc3)C2)c1
InChIInChI=1S/C29H29N3O2S/c33-35(34,28-17-8-3-9-18-28)32(22-24-11-4-1-5-12-24)27-16-10-15-26(21-27)31-20-19-30-29(23-31)25-13-6-2-7-14-25/h1-18,21,29-30H,19-20,22-23H2
InChIKeyMGFKEZRYHMGPHP-UHFFFAOYSA-N
MW483.64 g/mol
LogP5.23
Rot. Bonds7

About N-benzyl-N-[3-(3-phenylpiperazin-1-yl)phenyl]benzenesulfonamide

N-benzyl-N-[3-(3-phenylpiperazin-1-yl)phenyl]benzenesulfonamide (PubChem CID 46182229) has the molecular formula C29H29N3O2S and a molecular weight of 483.64 g/mol. Its IUPAC name is N-benzyl-N-[3-(3-phenylpiperazin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[3-(3-phenylpiperazin-1-yl)phenyl]benzenesulfonamide
PubChem CID46182229
Molecular FormulaC29H29N3O2S
Molecular Weight483.64 g/mol
Exact Mass483.20
IUPAC NameN-benzyl-N-[3-(3-phenylpiperazin-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccccc1)c1cccc(N2CCNC(c3ccccc3)C2)c1
InChIInChI=1S/C29H29N3O2S/c33-35(34,28-17-8-3-9-18-28)32(22-24-11-4-1-5-12-24)27-16-10-15-26(21-27)31-20-19-30-29(23-31)25-13-6-2-7-14-25/h1-18,21,29-30H,19-20,22-23H2
InChIKeyMGFKEZRYHMGPHP-UHFFFAOYSA-N
XLogP5.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.64
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-(3-phenylpiperazin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-benzyl-N-[3-(3-phenylpiperazin-1-yl)phenyl]benzenesulfonamide (CID 46182229) is N-benzyl-N-[3-(3-phenylpiperazin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[3-(3-phenylpiperazin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-N-[3-(3-phenylpiperazin-1-yl)phenyl]benzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1cccc(N2CCNC(c3ccccc3)C2)c1.
What is the InChIKey of N-benzyl-N-[3-(3-phenylpiperazin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is MGFKEZRYHMGPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O2S/c33-35(34,28-17-8-3-9-18-28)32(22-24-11-4-1-5-12-24)27-16-10-15-26(21-27)31-20-19-30-29(23-31)25-13-6-2-7-14-25/h1-18,21,29-30H,19-20,22-23H2.
What are the key properties of N-benzyl-N-[3-(3-phenylpiperazin-1-yl)phenyl]benzenesulfonamide?
N-benzyl-N-[3-(3-phenylpiperazin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 483.64 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-(3-phenylpiperazin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 46182229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).