N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-hydroxyphenyl]propane-1-sulfonamide

C24H29N5O3S — CID 135348450

IUPACN-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-hydroxyphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)ccc1O
InChIInChI=1S/C24H29N5O3S/c1-2-13-33(31,32)28-22-15-18(5-8-23(22)30)21-14-19(16-27-24(21)25)17-3-6-20(7-4-17)29-11-9-26-10-12-29/h3-8,14-16,26,28,30H,2,9-13H2,1H3,(H2,25,27)
InChIKeyRVYNOQUUDOREOT-UHFFFAOYSA-N
MW467.60 g/mol
LogP3.26
Rot. Bonds7

About N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-hydroxyphenyl]propane-1-sulfonamide

N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-hydroxyphenyl]propane-1-sulfonamide (PubChem CID 135348450) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-hydroxyphenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-hydroxyphenyl]propane-1-sulfonamide
PubChem CID135348450
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC NameN-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-hydroxyphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)ccc1O
InChIInChI=1S/C24H29N5O3S/c1-2-13-33(31,32)28-22-15-18(5-8-23(22)30)21-14-19(16-27-24(21)25)17-3-6-20(7-4-17)29-11-9-26-10-12-29/h3-8,14-16,26,28,30H,2,9-13H2,1H3,(H2,25,27)
InChIKeyRVYNOQUUDOREOT-UHFFFAOYSA-N
XLogP3.26
TPSA120.58 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methylphenyl]propane-1-sulfonamide
CID 146306976
N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2,3-dimethylphenyl]propane-1-sulfonamide
CID 135348441
N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-chlorophenyl]propane-1-sulfonamide
CID 135348302
N-[2-methoxy-4-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-1-sulfonamide
CID 135348456
N-[5-[2-amino-5-(3-piperazin-1-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
CID 146306964
N-[5-[2-amino-5-(4-piperidin-4-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
CID 170409748
3-(3-fluoro-4,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 162663760
N-[5-[2-amino-5-[4-(1-methylpiperidin-4-yl)phenyl]-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
CID 170345964
5-[2-amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]isoindole-1,3-dione
CID 166093249
methyl 4-[2-amino-5-(4-morpholin-4-ylphenyl)-3-pyridinyl]benzoate
CID 175443444
1-(4-propylsulfonylphenyl)piperazine
CID 7148681
1-[4-(4-ethylphenyl)phenyl]piperazine
CID 82092038

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-hydroxyphenyl]propane-1-sulfonamide?
The IUPAC name of N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-hydroxyphenyl]propane-1-sulfonamide (CID 135348450) is N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-hydroxyphenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-hydroxyphenyl]propane-1-sulfonamide?
The canonical SMILES for N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-hydroxyphenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)ccc1O.
What is the InChIKey of N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-hydroxyphenyl]propane-1-sulfonamide?
The InChIKey is RVYNOQUUDOREOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-2-13-33(31,32)28-22-15-18(5-8-23(22)30)21-14-19(16-27-24(21)25)17-3-6-20(7-4-17)29-11-9-26-10-12-29/h3-8,14-16,26,28,30H,2,9-13H2,1H3,(H2,25,27).
What are the key properties of N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-hydroxyphenyl]propane-1-sulfonamide?
N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-hydroxyphenyl]propane-1-sulfonamide has a molecular weight of 467.60 g/mol, XLogP of 3.26, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-hydroxyphenyl]propane-1-sulfonamide is sourced from PubChem (CID 135348450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).