2-amino-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide

C10H11FN4O2S — CID 61284077

IUPAC2-amino-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
SMILESNc1cc(F)ccc1S(=O)(=O)NCc1ccn[nH]1
InChIInChI=1S/C10H11FN4O2S/c11-7-1-2-10(9(12)5-7)18(16,17)14-6-8-3-4-13-15-8/h1-5,14H,6,12H2,(H,13,15)
InChIKeyGVQLZVUYPDYIGX-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.61
Rot. Bonds4

About 2-amino-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide

2-amino-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide (PubChem CID 61284077) has the molecular formula C10H11FN4O2S and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
PubChem CID61284077
Molecular FormulaC10H11FN4O2S
Molecular Weight270.29 g/mol
Exact Mass270.06
IUPAC Name2-amino-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
SMILESNc1cc(F)ccc1S(=O)(=O)NCc1ccn[nH]1
InChIInChI=1S/C10H11FN4O2S/c11-7-1-2-10(9(12)5-7)18(16,17)14-6-8-3-4-13-15-8/h1-5,14H,6,12H2,(H,13,15)
InChIKeyGVQLZVUYPDYIGX-UHFFFAOYSA-N
XLogP0.61
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide (CID 61284077) is 2-amino-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide is Nc1cc(F)ccc1S(=O)(=O)NCc1ccn[nH]1.
What is the InChIKey of 2-amino-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is GVQLZVUYPDYIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S/c11-7-1-2-10(9(12)5-7)18(16,17)14-6-8-3-4-13-15-8/h1-5,14H,6,12H2,(H,13,15).
What are the key properties of 2-amino-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
2-amino-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 270.29 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61284077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).