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

C13H16FN3O3S — CID 106387563

IUPAC5-amino-3-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2cc(N)cc(F)c2C)o1
InChIInChI=1S/C13H16FN3O3S/c1-7-6-16-13(20-7)9(3)17-21(18,19)12-5-10(15)4-11(14)8(12)2/h4-6,9,17H,15H2,1-3H3
InChIKeyGGGJQXDYEMATRZ-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.05
Rot. Bonds4

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

5-amino-3-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 106387563) has the molecular formula C13H16FN3O3S and a molecular weight of 313.35 g/mol. Its IUPAC name is 5-amino-3-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
PubChem CID106387563
Molecular FormulaC13H16FN3O3S
Molecular Weight313.35 g/mol
Exact Mass313.09
IUPAC Name5-amino-3-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2cc(N)cc(F)c2C)o1
InChIInChI=1S/C13H16FN3O3S/c1-7-6-16-13(20-7)9(3)17-21(18,19)12-5-10(15)4-11(14)8(12)2/h4-6,9,17H,15H2,1-3H3
InChIKeyGGGJQXDYEMATRZ-UHFFFAOYSA-N
XLogP2.05
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.05
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

5-amino-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387556
5-amino-2-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387570
2,5-dibromo-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 103947083
5-amino-3-fluoro-2-methyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 79897333
5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 79896720
2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387542
2-amino-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 106388982
3-cyano-4-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 103947097
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 79896658
5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide
CID 79897066
2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide
CID 106389711
5-(aminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390197

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-amino-3-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide (CID 106387563) is 5-amino-3-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-3-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-amino-3-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide is Cc1cnc(C(C)NS(=O)(=O)c2cc(N)cc(F)c2C)o1.
What is the InChIKey of 5-amino-3-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is GGGJQXDYEMATRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3S/c1-7-6-16-13(20-7)9(3)17-21(18,19)12-5-10(15)4-11(14)8(12)2/h4-6,9,17H,15H2,1-3H3.
What are the key properties of 5-amino-3-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
5-amino-3-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 313.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106387563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).