5-amino-N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide

C11H13FN4O2S — CID 54860610

IUPAC5-amino-N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCN(Cc1ccccc1F)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C11H13FN4O2S/c1-16(7-8-4-2-3-5-9(8)12)19(17,18)10-6-14-15-11(10)13/h2-6H,7H2,1H3,(H3,13,14,15)
InChIKeyMAOBAOZPNGRVAL-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.95
Rot. Bonds4

About 5-amino-N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide

5-amino-N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 54860610) has the molecular formula C11H13FN4O2S and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-amino-N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
PubChem CID54860610
Molecular FormulaC11H13FN4O2S
Molecular Weight284.32 g/mol
Exact Mass284.07
IUPAC Name5-amino-N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCN(Cc1ccccc1F)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C11H13FN4O2S/c1-16(7-8-4-2-3-5-9(8)12)19(17,18)10-6-14-15-11(10)13/h2-6H,7H2,1H3,(H3,13,14,15)
InChIKeyMAOBAOZPNGRVAL-UHFFFAOYSA-N
XLogP0.95
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide (CID 54860610) is 5-amino-N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide is CN(Cc1ccccc1F)S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is MAOBAOZPNGRVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S/c1-16(7-8-4-2-3-5-9(8)12)19(17,18)10-6-14-15-11(10)13/h2-6H,7H2,1H3,(H3,13,14,15).
What are the key properties of 5-amino-N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide?
5-amino-N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 284.32 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54860610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).