2-amino-N-(1-ethylpyrazol-4-yl)-5-fluorobenzenesulfonamide

C11H13FN4O2S — CID 54888949

IUPAC2-amino-N-(1-ethylpyrazol-4-yl)-5-fluorobenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cc(F)ccc2N)cn1
InChIInChI=1S/C11H13FN4O2S/c1-2-16-7-9(6-14-16)15-19(17,18)11-5-8(12)3-4-10(11)13/h3-7,15H,2,13H2,1H3
InChIKeyYZIRCDZPEYVHGS-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.43
Rot. Bonds4

About 2-amino-N-(1-ethylpyrazol-4-yl)-5-fluorobenzenesulfonamide

2-amino-N-(1-ethylpyrazol-4-yl)-5-fluorobenzenesulfonamide (PubChem CID 54888949) has the molecular formula C11H13FN4O2S and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-amino-N-(1-ethylpyrazol-4-yl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-ethylpyrazol-4-yl)-5-fluorobenzenesulfonamide
PubChem CID54888949
Molecular FormulaC11H13FN4O2S
Molecular Weight284.32 g/mol
Exact Mass284.07
IUPAC Name2-amino-N-(1-ethylpyrazol-4-yl)-5-fluorobenzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2cc(F)ccc2N)cn1
InChIInChI=1S/C11H13FN4O2S/c1-2-16-7-9(6-14-16)15-19(17,18)11-5-8(12)3-4-10(11)13/h3-7,15H,2,13H2,1H3
InChIKeyYZIRCDZPEYVHGS-UHFFFAOYSA-N
XLogP1.43
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-ethylpyrazol-4-yl)-5-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(1-ethylpyrazol-4-yl)-5-fluorobenzenesulfonamide (CID 54888949) is 2-amino-N-(1-ethylpyrazol-4-yl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1-ethylpyrazol-4-yl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(1-ethylpyrazol-4-yl)-5-fluorobenzenesulfonamide is CCn1cc(NS(=O)(=O)c2cc(F)ccc2N)cn1.
What is the InChIKey of 2-amino-N-(1-ethylpyrazol-4-yl)-5-fluorobenzenesulfonamide?
The InChIKey is YZIRCDZPEYVHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S/c1-2-16-7-9(6-14-16)15-19(17,18)11-5-8(12)3-4-10(11)13/h3-7,15H,2,13H2,1H3.
What are the key properties of 2-amino-N-(1-ethylpyrazol-4-yl)-5-fluorobenzenesulfonamide?
2-amino-N-(1-ethylpyrazol-4-yl)-5-fluorobenzenesulfonamide has a molecular weight of 284.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-ethylpyrazol-4-yl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 54888949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).