N-[(5-amino-2-hydroxyphenyl)methyl]-6-cyanopyridine-3-sulfonamide

C13H12N4O3S — CID 114612850

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-6-cyanopyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2cc(N)ccc2O)cn1
InChIInChI=1S/C13H12N4O3S/c14-6-11-2-3-12(8-16-11)21(19,20)17-7-9-5-10(15)1-4-13(9)18/h1-5,8,17-18H,7,15H2
InChIKeyVOWDDQOSXOOWSZ-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.72
Rot. Bonds4

About N-[(5-amino-2-hydroxyphenyl)methyl]-6-cyanopyridine-3-sulfonamide

N-[(5-amino-2-hydroxyphenyl)methyl]-6-cyanopyridine-3-sulfonamide (PubChem CID 114612850) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-6-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-6-cyanopyridine-3-sulfonamide
PubChem CID114612850
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-6-cyanopyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2cc(N)ccc2O)cn1
InChIInChI=1S/C13H12N4O3S/c14-6-11-2-3-12(8-16-11)21(19,20)17-7-9-5-10(15)1-4-13(9)18/h1-5,8,17-18H,7,15H2
InChIKeyVOWDDQOSXOOWSZ-UHFFFAOYSA-N
XLogP0.72
TPSA129.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-amino-2-hydroxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 43550358
6-cyano-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 115602469
6-cyano-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide
CID 103836844
6-cyano-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114956180
N-(4-amino-2-bromophenyl)-6-cyanopyridine-3-sulfonamide
CID 114612856
N-(5-bromo-2-hydroxyphenyl)-6-cyanopyridine-3-sulfonamide
CID 115685368
N-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide
CID 114612830
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
3-[(6-cyano-3-pyridinyl)sulfonylamino]-2-hydroxypropanamide
CID 114153229
6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 115602709
N-[1-(4-aminophenyl)ethyl]-6-cyanopyridine-3-sulfonamide
CID 114612845
6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide
CID 107848455

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-6-cyanopyridine-3-sulfonamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-6-cyanopyridine-3-sulfonamide (CID 114612850) is N-[(5-amino-2-hydroxyphenyl)methyl]-6-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-6-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-6-cyanopyridine-3-sulfonamide is N#Cc1ccc(S(=O)(=O)NCc2cc(N)ccc2O)cn1.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-6-cyanopyridine-3-sulfonamide?
The InChIKey is VOWDDQOSXOOWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c14-6-11-2-3-12(8-16-11)21(19,20)17-7-9-5-10(15)1-4-13(9)18/h1-5,8,17-18H,7,15H2.
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-6-cyanopyridine-3-sulfonamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-6-cyanopyridine-3-sulfonamide has a molecular weight of 304.33 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]-6-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 114612850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).