2-amino-5-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide

C10H11FN4O2S — CID 54888714

IUPAC2-amino-5-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2cc(F)ccc2N)cn1
InChIInChI=1S/C10H11FN4O2S/c1-15-6-8(5-13-15)14-18(16,17)10-4-7(11)2-3-9(10)12/h2-6,14H,12H2,1H3
InChIKeyBJEKRHUSIGTZSS-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.94
Rot. Bonds3

About 2-amino-5-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide

2-amino-5-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide (PubChem CID 54888714) has the molecular formula C10H11FN4O2S and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
PubChem CID54888714
Molecular FormulaC10H11FN4O2S
Molecular Weight270.29 g/mol
Exact Mass270.06
IUPAC Name2-amino-5-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2cc(F)ccc2N)cn1
InChIInChI=1S/C10H11FN4O2S/c1-15-6-8(5-13-15)14-18(16,17)10-4-7(11)2-3-9(10)12/h2-6,14H,12H2,1H3
InChIKeyBJEKRHUSIGTZSS-UHFFFAOYSA-N
XLogP0.94
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.94
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-5-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-amino-5-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide (CID 54888714) is 2-amino-5-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide is Cn1cc(NS(=O)(=O)c2cc(F)ccc2N)cn1.
What is the InChIKey of 2-amino-5-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is BJEKRHUSIGTZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S/c1-15-6-8(5-13-15)14-18(16,17)10-4-7(11)2-3-9(10)12/h2-6,14H,12H2,1H3.
What are the key properties of 2-amino-5-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
2-amino-5-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 270.29 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(1-methylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 54888714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).