5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

C10H9F2N3O3S — CID 106413925

IUPAC5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCc2ccno2)c(F)cc1F
InChIInChI=1S/C10H9F2N3O3S/c11-7-3-8(12)10(4-9(7)13)19(16,17)15-5-6-1-2-14-18-6/h1-4,15H,5,13H2
InChIKeyCEDPMRGBGUGQSL-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.01
Rot. Bonds4

About 5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (PubChem CID 106413925) has the molecular formula C10H9F2N3O3S and a molecular weight of 289.26 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
PubChem CID106413925
Molecular FormulaC10H9F2N3O3S
Molecular Weight289.26 g/mol
Exact Mass289.03
IUPAC Name5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCc2ccno2)c(F)cc1F
InChIInChI=1S/C10H9F2N3O3S/c11-7-3-8(12)10(4-9(7)13)19(16,17)15-5-6-1-2-14-18-6/h1-4,15H,5,13H2
InChIKeyCEDPMRGBGUGQSL-UHFFFAOYSA-N
XLogP1.01
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.01
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

2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424004
5-amino-2,4-difluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 63304324
5-amino-2-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106413894
2-amino-6-fluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 114185734
5-bromo-2-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423571
2-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
CID 106423589
5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide
CID 106413888
4-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridine-3-sulfonamide
CID 106419547
5-amino-N-[(2-chlorophenyl)methyl]-2,4-difluorobenzenesulfonamide
CID 28537421
3-chloro-4-(1,2-oxazol-5-ylmethylsulfamoyl)benzenecarbothioamide
CID 106418008
5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluorobenzenesulfonamide
CID 61109676
2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423811

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (CID 106413925) is 5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is Nc1cc(S(=O)(=O)NCc2ccno2)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is CEDPMRGBGUGQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O3S/c11-7-3-8(12)10(4-9(7)13)19(16,17)15-5-6-1-2-14-18-6/h1-4,15H,5,13H2.
What are the key properties of 5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 289.26 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106413925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).