N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-sulfonamide

C23H20N4O3S2 — CID 143708788

IUPACN-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-sulfonamide
SMILES[H]/N=C(/CC(NS(=O)(=O)c1ccc(-c2ccccn2)s1)c1ccccc1O)c1cccnc1
InChIInChI=1S/C23H20N4O3S2/c24-18(16-6-5-12-25-15-16)14-20(17-7-1-2-9-21(17)28)27-32(29,30)23-11-10-22(31-23)19-8-3-4-13-26-19/h1-13,15,20,24,27-28H,14H2/b24-18-
InChIKeyQXHJXTQQTDVKKM-MOHJPFBDSA-N
MW464.57 g/mol
LogP4.39
Rot. Bonds8

About N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-sulfonamide

N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-sulfonamide (PubChem CID 143708788) has the molecular formula C23H20N4O3S2 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-sulfonamide
PubChem CID143708788
Molecular FormulaC23H20N4O3S2
Molecular Weight464.57 g/mol
Exact Mass464.10
IUPAC NameN-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-sulfonamide
SMILES[H]/N=C(/CC(NS(=O)(=O)c1ccc(-c2ccccn2)s1)c1ccccc1O)c1cccnc1
InChIInChI=1S/C23H20N4O3S2/c24-18(16-6-5-12-25-15-16)14-20(17-7-1-2-9-21(17)28)27-32(29,30)23-11-10-22(31-23)19-8-3-4-13-26-19/h1-13,15,20,24,27-28H,14H2/b24-18-
InChIKeyQXHJXTQQTDVKKM-MOHJPFBDSA-N
XLogP4.39
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-5-(2-pyridinyl)-2-thiophenesulfonamide
CID 2812777
2-[5-Pyridin-3-yl-2-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-3,4-dihydropyrazol-3-yl]phenol
CID 54584106
2-((((5-(4-(2-(2,5-Dimethylthiophen-3-yl)-3,3,4,4,5,5-hexafluorocyclopent-1-en-1-yl)-5-methylthiophen-2-yl)pyridin-2-yl)methylene)hydrazono)methyl)phenol
CID 164886090
5-[4-(3-Methoxy-4-trifluoromethyl-phenyl)-6-methyl-[2,4']bipyridinyl-2'-yl]-thiophene-2-sulfonic acid tert-butylamide
CID 24759949
N-[3-[5-[(2,6-difluoro-3-hydroxyphenyl)-hydroxymethyl]thiophen-2-yl]phenyl]pyridine-3-sulfonamide
CID 123590954
N-[1-(4-fluoro-2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-carboxamide
CID 143708680
N-[1-(2-fluoro-6-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-carboxamide
CID 143708710
N-[1-(5-fluoro-2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-carboxamide
CID 143708733
5-[2-methoxy-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)thiophene-2-sulfonamide
CID 44523753
5-[2-methoxy-5-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 44523763
5-(5-fluoro-3-pyridinyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 171914821
2-(2-Pyridin-4-yl-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl)phenol
CID 126479815

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-sulfonamide (CID 143708788) is N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-sulfonamide is [H]/N=C(/CC(NS(=O)(=O)c1ccc(-c2ccccn2)s1)c1ccccc1O)c1cccnc1.
What is the InChIKey of N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-sulfonamide?
The InChIKey is QXHJXTQQTDVKKM-MOHJPFBDSA-N. The full InChI is InChI=1S/C23H20N4O3S2/c24-18(16-6-5-12-25-15-16)14-20(17-7-1-2-9-21(17)28)27-32(29,30)23-11-10-22(31-23)19-8-3-4-13-26-19/h1-13,15,20,24,27-28H,14H2/b24-18-.
What are the key properties of N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-sulfonamide?
N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-sulfonamide has a molecular weight of 464.57 g/mol, XLogP of 4.39, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)-3-imino-3-pyridin-3-ylpropyl]-5-pyridin-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 143708788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).