2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

C11H13FN4O2S — CID 61460076

IUPAC2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESNc1cc(F)ccc1S(=O)(=O)NCCn1cccn1
InChIInChI=1S/C11H13FN4O2S/c12-9-2-3-11(10(13)8-9)19(17,18)15-5-7-16-6-1-4-14-16/h1-4,6,8,15H,5,7,13H2
InChIKeyYOQPWPHTIHBKJV-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.58
Rot. Bonds5

About 2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (PubChem CID 61460076) has the molecular formula C11H13FN4O2S and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
PubChem CID61460076
Molecular FormulaC11H13FN4O2S
Molecular Weight284.32 g/mol
Exact Mass284.07
IUPAC Name2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESNc1cc(F)ccc1S(=O)(=O)NCCn1cccn1
InChIInChI=1S/C11H13FN4O2S/c12-9-2-3-11(10(13)8-9)19(17,18)15-5-7-16-6-1-4-14-16/h1-4,6,8,15H,5,7,13H2
InChIKeyYOQPWPHTIHBKJV-UHFFFAOYSA-N
XLogP0.58
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716621
5-fluoro-2-(2-pyrazol-1-ylethylsulfonyl)aniline
CID 81185064
3-amino-5-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 114379310
3-amino-4-hydroxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459596
5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459711
4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054609
2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 106077186
5-(aminomethyl)-2-ethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054562
5-amino-4-bromo-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 81396960
2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758427
2-bromo-4,6-difluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61461737
2-amino-4-fluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 63332713

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (CID 61460076) is 2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is Nc1cc(F)ccc1S(=O)(=O)NCCn1cccn1.
What is the InChIKey of 2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The InChIKey is YOQPWPHTIHBKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S/c12-9-2-3-11(10(13)8-9)19(17,18)15-5-7-16-6-1-4-14-16/h1-4,6,8,15H,5,7,13H2.
What are the key properties of 2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide has a molecular weight of 284.32 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 61460076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).