4-(4-phenylpiperazin-1-yl)pyridine-3-sulfonamide

C15H18N4O2S — CID 73357104

IUPAC4-(4-phenylpiperazin-1-yl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H18N4O2S/c16-22(20,21)15-12-17-7-6-14(15)19-10-8-18(9-11-19)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H2,16,20,21)
InChIKeyBOUAJWCHBMKELU-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.06
Rot. Bonds3

About 4-(4-phenylpiperazin-1-yl)pyridine-3-sulfonamide

4-(4-phenylpiperazin-1-yl)pyridine-3-sulfonamide (PubChem CID 73357104) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-(4-phenylpiperazin-1-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(4-phenylpiperazin-1-yl)pyridine-3-sulfonamide
PubChem CID73357104
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name4-(4-phenylpiperazin-1-yl)pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1cnccc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H18N4O2S/c16-22(20,21)15-12-17-7-6-14(15)19-10-8-18(9-11-19)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H2,16,20,21)
InChIKeyBOUAJWCHBMKELU-UHFFFAOYSA-N
XLogP1.06
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.06
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)pyridine-3-sulfonamide?
The IUPAC name of 4-(4-phenylpiperazin-1-yl)pyridine-3-sulfonamide (CID 73357104) is 4-(4-phenylpiperazin-1-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 4-(4-phenylpiperazin-1-yl)pyridine-3-sulfonamide?
The canonical SMILES for 4-(4-phenylpiperazin-1-yl)pyridine-3-sulfonamide is NS(=O)(=O)c1cnccc1N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-(4-phenylpiperazin-1-yl)pyridine-3-sulfonamide?
The InChIKey is BOUAJWCHBMKELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c16-22(20,21)15-12-17-7-6-14(15)19-10-8-18(9-11-19)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H2,16,20,21).
What are the key properties of 4-(4-phenylpiperazin-1-yl)pyridine-3-sulfonamide?
4-(4-phenylpiperazin-1-yl)pyridine-3-sulfonamide has a molecular weight of 318.40 g/mol, XLogP of 1.06, 3 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)pyridine-3-sulfonamide is sourced from PubChem (CID 73357104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).