4-(4-phenylpiperazin-1-yl)sulfonylbenzenesulfonamide

C16H19N3O4S2 — CID 26526846

IUPAC4-(4-phenylpiperazin-1-yl)sulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C16H19N3O4S2/c17-24(20,21)15-6-8-16(9-7-15)25(22,23)19-12-10-18(11-13-19)14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,17,20,21)
InChIKeySTDPYJOCGLQNOT-UHFFFAOYSA-N
MW381.48 g/mol
LogP0.84
Rot. Bonds4

About 4-(4-phenylpiperazin-1-yl)sulfonylbenzenesulfonamide

4-(4-phenylpiperazin-1-yl)sulfonylbenzenesulfonamide (PubChem CID 26526846) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-(4-phenylpiperazin-1-yl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-phenylpiperazin-1-yl)sulfonylbenzenesulfonamide
PubChem CID26526846
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC Name4-(4-phenylpiperazin-1-yl)sulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C16H19N3O4S2/c17-24(20,21)15-6-8-16(9-7-15)25(22,23)19-12-10-18(11-13-19)14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,17,20,21)
InChIKeySTDPYJOCGLQNOT-UHFFFAOYSA-N
XLogP0.84
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperazin-1-yl)sulfonylbenzenesulfonamide?
The IUPAC name of 4-(4-phenylpiperazin-1-yl)sulfonylbenzenesulfonamide (CID 26526846) is 4-(4-phenylpiperazin-1-yl)sulfonylbenzenesulfonamide.
What is the SMILES notation for 4-(4-phenylpiperazin-1-yl)sulfonylbenzenesulfonamide?
The canonical SMILES for 4-(4-phenylpiperazin-1-yl)sulfonylbenzenesulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-phenylpiperazin-1-yl)sulfonylbenzenesulfonamide?
The InChIKey is STDPYJOCGLQNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c17-24(20,21)15-6-8-16(9-7-15)25(22,23)19-12-10-18(11-13-19)14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,17,20,21).
What are the key properties of 4-(4-phenylpiperazin-1-yl)sulfonylbenzenesulfonamide?
4-(4-phenylpiperazin-1-yl)sulfonylbenzenesulfonamide has a molecular weight of 381.48 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperazin-1-yl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 26526846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).