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

C12H14FN3O3S — CID 106369155

IUPAC5-amino-4-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2cc(N)c(F)cc2C)o1
InChIInChI=1S/C12H14FN3O3S/c1-7-3-9(13)10(14)4-11(7)20(17,18)16-6-12-15-5-8(2)19-12/h3-5,16H,6,14H2,1-2H3
InChIKeyIZBMEBNDYOKHSB-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.49
Rot. Bonds4

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

5-amino-4-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (PubChem CID 106369155) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-amino-4-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
PubChem CID106369155
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC Name5-amino-4-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2cc(N)c(F)cc2C)o1
InChIInChI=1S/C12H14FN3O3S/c1-7-3-9(13)10(14)4-11(7)20(17,18)16-6-12-15-5-8(2)19-12/h3-5,16H,6,14H2,1-2H3
InChIKeyIZBMEBNDYOKHSB-UHFFFAOYSA-N
XLogP1.49
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-4-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide
CID 72126072
2-ethyl-5-[1-(1,3-oxazol-2-yl)ethenylamino]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 166755204
N-[4-ethyl-3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide
CID 168786242
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 71982162
2-cyano-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 75387252
3-fluoro-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitrobenzenesulfonamide
CID 75510143
N-[2-fluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]phenyl]acetamide
CID 99818085
2-cyano-3-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 103947086
2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-fluorobenzenesulfonamide
CID 104920028
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-4-(trifluoromethyl)aniline
CID 105651152
4-fluoro-2,6-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106150744
4-fluoro-2,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106150826

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-4-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (CID 106369155) is 5-amino-4-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-4-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-4-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is Cc1cnc(CNS(=O)(=O)c2cc(N)c(F)cc2C)o1.
What is the InChIKey of 5-amino-4-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is IZBMEBNDYOKHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-7-3-9(13)10(14)4-11(7)20(17,18)16-6-12-15-5-8(2)19-12/h3-5,16H,6,14H2,1-2H3.
What are the key properties of 5-amino-4-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
5-amino-4-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 299.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-fluoro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106369155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).