4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C10H10FN3O3S — CID 22411411

IUPAC4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(N)cc2F)no1
InChIInChI=1S/C10H10FN3O3S/c1-6-4-10(13-17-6)14-18(15,16)9-3-2-7(12)5-8(9)11/h2-5H,12H2,1H3,(H,13,14)
InChIKeyRRELFOAIHGTXMK-UHFFFAOYSA-N
MW271.27 g/mol
LogP1.51
Rot. Bonds3

About 4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 22411411) has the molecular formula C10H10FN3O3S and a molecular weight of 271.27 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID22411411
Molecular FormulaC10H10FN3O3S
Molecular Weight271.27 g/mol
Exact Mass271.04
IUPAC Name4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(N)cc2F)no1
InChIInChI=1S/C10H10FN3O3S/c1-6-4-10(13-17-6)14-18(15,16)9-3-2-7(12)5-8(9)11/h2-5H,12H2,1H3,(H,13,14)
InChIKeyRRELFOAIHGTXMK-UHFFFAOYSA-N
XLogP1.51
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

4-amino-2-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 43257220
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-fluorobenzenesulfonamide
CID 65485842
CID 57350054
CID 57350054
3-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 14150694
4-amino-2-fluoro-N-(6-fluoro-2-pyridinyl)benzenesulfonamide
CID 116812616
2-amino-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
CID 62149534
4-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-fluorobenzenesulfonamide
CID 104616977
3-amino-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzoic acid
CID 81471487
2,5-dichloro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 717534
4-amino-2-fluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012823
4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786251
4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-fluorobenzenesulfonamide
CID 114386828

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 22411411) is 4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(N)cc2F)no1.
What is the InChIKey of 4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is RRELFOAIHGTXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O3S/c1-6-4-10(13-17-6)14-18(15,16)9-3-2-7(12)5-8(9)11/h2-5H,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 271.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 22411411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).