5-amino-N-[(dimethylamino)methyl]-2-(4-fluoropyrazol-1-yl)pyridine-3-sulfonamide

C11H15FN6O2S — CID 166493211

IUPAC5-amino-N-[(dimethylamino)methyl]-2-(4-fluoropyrazol-1-yl)pyridine-3-sulfonamide
SMILESCN(C)CNS(=O)(=O)c1cc(N)cnc1-n1cc(F)cn1
InChIInChI=1S/C11H15FN6O2S/c1-17(2)7-16-21(19,20)10-3-9(13)5-14-11(10)18-6-8(12)4-15-18/h3-6,16H,7,13H2,1-2H3
InChIKeyHMCAIXRYYVGVOU-UHFFFAOYSA-N
MW314.35 g/mol
LogP-0.21
Rot. Bonds5

About 5-amino-N-[(dimethylamino)methyl]-2-(4-fluoropyrazol-1-yl)pyridine-3-sulfonamide

5-amino-N-[(dimethylamino)methyl]-2-(4-fluoropyrazol-1-yl)pyridine-3-sulfonamide (PubChem CID 166493211) has the molecular formula C11H15FN6O2S and a molecular weight of 314.35 g/mol. Its IUPAC name is 5-amino-N-[(dimethylamino)methyl]-2-(4-fluoropyrazol-1-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[(dimethylamino)methyl]-2-(4-fluoropyrazol-1-yl)pyridine-3-sulfonamide
PubChem CID166493211
Molecular FormulaC11H15FN6O2S
Molecular Weight314.35 g/mol
Exact Mass314.10
IUPAC Name5-amino-N-[(dimethylamino)methyl]-2-(4-fluoropyrazol-1-yl)pyridine-3-sulfonamide
SMILESCN(C)CNS(=O)(=O)c1cc(N)cnc1-n1cc(F)cn1
InChIInChI=1S/C11H15FN6O2S/c1-17(2)7-16-21(19,20)10-3-9(13)5-14-11(10)18-6-8(12)4-15-18/h3-6,16H,7,13H2,1-2H3
InChIKeyHMCAIXRYYVGVOU-UHFFFAOYSA-N
XLogP-0.21
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(4-fluoropyrazol-1-yl)-N-[(4-hydroxy-2-methoxyphenyl)methyl]benzenesulfonamide
CID 163541729
3-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-fluoropyrazol-1-yl)benzenesulfonamide
CID 175751617
6-(4-bromopyrazol-1-yl)-5-methylpyridin-3-amine
CID 62476407
5-amino-N-[3-(dimethylamino)propyl]-3-fluoro-2-methylbenzenesulfonamide
CID 79896277
5-amino-N-[4-(dimethylamino)butyl]-2,3-difluorobenzenesulfonamide
CID 65020831
2-amino-N-[2-(dimethylamino)ethyl]-5-fluorobenzenesulfonamide
CID 54888461
N-[4-(4-fluoropyrazol-1-yl)-3-sulfamoylphenyl]acetamide
CID 151538876
5-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-(4-methylpyrazol-1-yl)benzenesulfonamide
CID 138559540
5-amino-2-(4-ethoxypyrazol-1-yl)pyridine-3-carboxamide
CID 114273662
5-amino-N-[3-(dimethylamino)propyl]-1-methylpyrazole-4-sulfonamide
CID 82459771
5-amino-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61351156
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(dimethylamino)methyl]-2-(4-fluoropyrazol-1-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-amino-N-[(dimethylamino)methyl]-2-(4-fluoropyrazol-1-yl)pyridine-3-sulfonamide (CID 166493211) is 5-amino-N-[(dimethylamino)methyl]-2-(4-fluoropyrazol-1-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-amino-N-[(dimethylamino)methyl]-2-(4-fluoropyrazol-1-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-amino-N-[(dimethylamino)methyl]-2-(4-fluoropyrazol-1-yl)pyridine-3-sulfonamide is CN(C)CNS(=O)(=O)c1cc(N)cnc1-n1cc(F)cn1.
What is the InChIKey of 5-amino-N-[(dimethylamino)methyl]-2-(4-fluoropyrazol-1-yl)pyridine-3-sulfonamide?
The InChIKey is HMCAIXRYYVGVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN6O2S/c1-17(2)7-16-21(19,20)10-3-9(13)5-14-11(10)18-6-8(12)4-15-18/h3-6,16H,7,13H2,1-2H3.
What are the key properties of 5-amino-N-[(dimethylamino)methyl]-2-(4-fluoropyrazol-1-yl)pyridine-3-sulfonamide?
5-amino-N-[(dimethylamino)methyl]-2-(4-fluoropyrazol-1-yl)pyridine-3-sulfonamide has a molecular weight of 314.35 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(dimethylamino)methyl]-2-(4-fluoropyrazol-1-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 166493211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).