2-[4-[4-(6-aminopyridazin-3-yl)sulfonylpiperazin-1-yl]phenyl]propan-2-ol

C17H23N5O3S — CID 70659689

IUPAC2-[4-[4-(6-aminopyridazin-3-yl)sulfonylpiperazin-1-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(N2CCN(S(=O)(=O)c3ccc(N)nn3)CC2)cc1
InChIInChI=1S/C17H23N5O3S/c1-17(2,23)13-3-5-14(6-4-13)21-9-11-22(12-10-21)26(24,25)16-8-7-15(18)19-20-16/h3-8,23H,9-12H2,1-2H3,(H2,18,19)
InChIKeyNMUHVFLUJOFNDM-UHFFFAOYSA-N
MW377.47 g/mol
LogP0.80
Rot. Bonds4

About 2-[4-[4-(6-aminopyridazin-3-yl)sulfonylpiperazin-1-yl]phenyl]propan-2-ol

2-[4-[4-(6-aminopyridazin-3-yl)sulfonylpiperazin-1-yl]phenyl]propan-2-ol (PubChem CID 70659689) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[4-[4-(6-aminopyridazin-3-yl)sulfonylpiperazin-1-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[4-(6-aminopyridazin-3-yl)sulfonylpiperazin-1-yl]phenyl]propan-2-ol
PubChem CID70659689
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name2-[4-[4-(6-aminopyridazin-3-yl)sulfonylpiperazin-1-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(N2CCN(S(=O)(=O)c3ccc(N)nn3)CC2)cc1
InChIInChI=1S/C17H23N5O3S/c1-17(2,23)13-3-5-14(6-4-13)21-9-11-22(12-10-21)26(24,25)16-8-7-15(18)19-20-16/h3-8,23H,9-12H2,1-2H3,(H2,18,19)
InChIKeyNMUHVFLUJOFNDM-UHFFFAOYSA-N
XLogP0.80
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(4-bromothiophen-3-yl)sulfonylpiperazin-1-yl]phenyl]propan-2-ol
CID 70659833
4-amino-2-[4-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]piperazin-1-yl]sulfonylcyclohexa-2,4-diene-1-thione
CID 87059078
2-[4-[4-(3-fluoro-4-nitrophenyl)sulfonylpiperazin-1-yl]phenyl]propan-2-ol
CID 70659665
2-[4-[4-(2-aminopyrimidin-5-yl)sulfonylpiperazin-1-yl]phenyl]propan-2-ol;6-chloropyridine-3-sulfonyl chloride;methane;2-(4-piperazin-1-ylphenyl)propan-2-ol
CID 161022825
3-amino-2-[4-[4-[(6-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]phenyl]-1,1,1-trifluoropropan-2-ol;prop-1-yne
CID 144584384
2-[4-[4-[(4-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]phenyl]-1,1,1-trifluoropropan-2-ol
CID 70659765
1-[4-[4-(benzenesulfonyl)piperazin-1-yl]phenyl]-1-cyclopropylethanol
CID 70659341
(2S)-2-[4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)phenyl]propane-1,2-diol
CID 70659611
1-(4-tert-butylphenyl)sulfonyl-4-(4-nitrophenyl)piperazine
CID 15997991
(2S)-3,3,3-trifluoro-2-[4-[4-(2-sulfanylphenyl)sulfonylpiperazin-1-yl]phenyl]propane-1,2-diol
CID 123740871
4-(4-tert-butylphenyl)piperazine-1-carboxamide;ethane
CID 155748028
1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]phenyl]propan-2-ol
CID 86670361

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(6-aminopyridazin-3-yl)sulfonylpiperazin-1-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[4-[4-(6-aminopyridazin-3-yl)sulfonylpiperazin-1-yl]phenyl]propan-2-ol (CID 70659689) is 2-[4-[4-(6-aminopyridazin-3-yl)sulfonylpiperazin-1-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[4-(6-aminopyridazin-3-yl)sulfonylpiperazin-1-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[4-[4-(6-aminopyridazin-3-yl)sulfonylpiperazin-1-yl]phenyl]propan-2-ol is CC(C)(O)c1ccc(N2CCN(S(=O)(=O)c3ccc(N)nn3)CC2)cc1.
What is the InChIKey of 2-[4-[4-(6-aminopyridazin-3-yl)sulfonylpiperazin-1-yl]phenyl]propan-2-ol?
The InChIKey is NMUHVFLUJOFNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-17(2,23)13-3-5-14(6-4-13)21-9-11-22(12-10-21)26(24,25)16-8-7-15(18)19-20-16/h3-8,23H,9-12H2,1-2H3,(H2,18,19).
What are the key properties of 2-[4-[4-(6-aminopyridazin-3-yl)sulfonylpiperazin-1-yl]phenyl]propan-2-ol?
2-[4-[4-(6-aminopyridazin-3-yl)sulfonylpiperazin-1-yl]phenyl]propan-2-ol has a molecular weight of 377.47 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(6-aminopyridazin-3-yl)sulfonylpiperazin-1-yl]phenyl]propan-2-ol is sourced from PubChem (CID 70659689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).