hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylbenzenecarboximidamide

C13H18N6O3S — CID 144893358

IUPAChydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylbenzenecarboximidamide
SMILESNN.[H]/N=C(\N)c1c(-c2ccnc(CO)c2)cccc1S(N)(=O)=O
InChIInChI=1S/C13H14N4O3S.H4N2/c14-13(15)12-10(2-1-3-11(12)21(16,19)20)8-4-5-17-9(6-8)7-18;1-2/h1-6,18H,7H2,(H3,14,15)(H2,16,19,20);1-2H2
InChIKeyWCKNMZIFONLGQT-UHFFFAOYSA-N
MW338.39 g/mol
LogP-1.01
Rot. Bonds4

About hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylbenzenecarboximidamide

hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylbenzenecarboximidamide (PubChem CID 144893358) has the molecular formula C13H18N6O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylbenzenecarboximidamide.

Molecular Properties

Compound Namehydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylbenzenecarboximidamide
PubChem CID144893358
Molecular FormulaC13H18N6O3S
Molecular Weight338.39 g/mol
Exact Mass338.12
IUPAC Namehydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylbenzenecarboximidamide
SMILESNN.[H]/N=C(\N)c1c(-c2ccnc(CO)c2)cccc1S(N)(=O)=O
InChIInChI=1S/C13H14N4O3S.H4N2/c14-13(15)12-10(2-1-3-11(12)21(16,19)20)8-4-5-17-9(6-8)7-18;1-2/h1-6,18H,7H2,(H3,14,15)(H2,16,19,20);1-2H2
InChIKeyWCKNMZIFONLGQT-UHFFFAOYSA-N
XLogP-1.01
TPSA195.19 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.39
LogP ≤ 5-1.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-(hydroxymethyl)-4-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266121
3-[2-(hydroxymethyl)pyridin-4-yl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 134823517
3-(6-(Hydroxymethyl)pyridin-3-yl)-2-(1H-tetrazol-5-yl)benzenesulfonamide
CID 134823584
N-(3-fluoro-4-pyridinyl)-3-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 106000362
N-(3-fluoro-4-pyridinyl)-5-(hydroxymethyl)-2,3-dimethylbenzenesulfonamide
CID 106000373
3-Hydroxymethyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 22601342
3-[6-(hydroxymethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118256785
[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methanol
CID 122694256
N'-amino-2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylbenzenecarboximidamide
CID 123199347
4-[3-(Hydroxymethyl)-2-methyl-4-pyridinyl]benzenesulfonamide
CID 140346430
2-[6-(Hydroxymethyl)-3-pyridinyl]benzenesulfonamide
CID 144893442
Hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylcyclohexa-1,5-diene-1-carboximidamide
CID 144893577

Frequently Asked Questions

What is the IUPAC name of hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylbenzenecarboximidamide?
The IUPAC name of hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylbenzenecarboximidamide (CID 144893358) is hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylbenzenecarboximidamide.
What is the SMILES notation for hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylbenzenecarboximidamide?
The canonical SMILES for hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylbenzenecarboximidamide is NN.[H]/N=C(\N)c1c(-c2ccnc(CO)c2)cccc1S(N)(=O)=O.
What is the InChIKey of hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylbenzenecarboximidamide?
The InChIKey is WCKNMZIFONLGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S.H4N2/c14-13(15)12-10(2-1-3-11(12)21(16,19)20)8-4-5-17-9(6-8)7-18;1-2/h1-6,18H,7H2,(H3,14,15)(H2,16,19,20);1-2H2.
What are the key properties of hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylbenzenecarboximidamide?
hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylbenzenecarboximidamide has a molecular weight of 338.39 g/mol, XLogP of -1.01, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;2-[2-(hydroxymethyl)-4-pyridinyl]-6-sulfamoylbenzenecarboximidamide is sourced from PubChem (CID 144893358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).