3-amino-4-fluoro-2,6-dimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide

C11H12FN3O3S — CID 107325808

IUPAC3-amino-4-fluoro-2,6-dimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(F)c(N)c(C)c1S(=O)(=O)Nc1ccon1
InChIInChI=1S/C11H12FN3O3S/c1-6-5-8(12)10(13)7(2)11(6)19(16,17)15-9-3-4-18-14-9/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyDQMSRPNIXWFQLR-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.81
Rot. Bonds3

About 3-amino-4-fluoro-2,6-dimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide

3-amino-4-fluoro-2,6-dimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 107325808) has the molecular formula C11H12FN3O3S and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-amino-4-fluoro-2,6-dimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-2,6-dimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID107325808
Molecular FormulaC11H12FN3O3S
Molecular Weight285.30 g/mol
Exact Mass285.06
IUPAC Name3-amino-4-fluoro-2,6-dimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(F)c(N)c(C)c1S(=O)(=O)Nc1ccon1
InChIInChI=1S/C11H12FN3O3S/c1-6-5-8(12)10(13)7(2)11(6)19(16,17)15-9-3-4-18-14-9/h3-5H,13H2,1-2H3,(H,14,15)
InChIKeyDQMSRPNIXWFQLR-UHFFFAOYSA-N
XLogP1.81
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.81
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

3-amino-2,5,6-trimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 106504809
3-amino-4-fluoro-2,6-dimethyl-N-(thiatriazol-5-yl)benzenesulfonamide
CID 107326285
4-amino-2-chloro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 55131833
5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62902722
3-amino-5-chloro-4-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62904150
4-amino-2-(1,2-oxazol-3-ylsulfamoyl)benzoic acid
CID 102931209
4-amino-2-cyano-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62902060
3-amino-4-fluoro-2,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 107325579
3-amino-4-fluoro-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 107325827
4-bromo-2,6-dichloro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 60660830
2,4-difluoro-6-(3-hydroxyprop-1-ynyl)-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62902175
3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 107325687

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-2,6-dimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-2,6-dimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide (CID 107325808) is 3-amino-4-fluoro-2,6-dimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-2,6-dimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-2,6-dimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide is Cc1cc(F)c(N)c(C)c1S(=O)(=O)Nc1ccon1.
What is the InChIKey of 3-amino-4-fluoro-2,6-dimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is DQMSRPNIXWFQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3S/c1-6-5-8(12)10(13)7(2)11(6)19(16,17)15-9-3-4-18-14-9/h3-5H,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-4-fluoro-2,6-dimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide?
3-amino-4-fluoro-2,6-dimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 285.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-2,6-dimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 107325808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).