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

C13H16FN3O3S — CID 106387564

IUPAC5-amino-4-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2cc(N)c(F)cc2C)o1
InChIInChI=1S/C13H16FN3O3S/c1-7-4-10(14)11(15)5-12(7)21(18,19)17-9(3)13-16-6-8(2)20-13/h4-6,9,17H,15H2,1-3H3
InChIKeyAEWULDDEHUVBOR-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.05
Rot. Bonds4

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

5-amino-4-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 106387564) has the molecular formula C13H16FN3O3S and a molecular weight of 313.35 g/mol. Its IUPAC name is 5-amino-4-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
PubChem CID106387564
Molecular FormulaC13H16FN3O3S
Molecular Weight313.35 g/mol
Exact Mass313.09
IUPAC Name5-amino-4-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2cc(N)c(F)cc2C)o1
InChIInChI=1S/C13H16FN3O3S/c1-7-4-10(14)11(15)5-12(7)21(18,19)17-9(3)13-16-6-8(2)20-13/h4-6,9,17H,15H2,1-3H3
InChIKeyAEWULDDEHUVBOR-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

N-ethyl-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide
CID 72126072
(1S)-1-(3-fluoro-4-methylsulfonylphenyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]ethanamine
CID 97610056
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
3-fluoro-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitrobenzenesulfonamide
CID 75510143
1-(3-fluoro-4-methylsulfonylphenyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]ethanamine
CID 84599027
(1R)-1-(3-fluoro-4-methylsulfonylphenyl)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]ethanamine
CID 97610057
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
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-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-amino-4-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide (CID 106387564) is 5-amino-4-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-4-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-amino-4-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide is Cc1cnc(C(C)NS(=O)(=O)c2cc(N)c(F)cc2C)o1.
What is the InChIKey of 5-amino-4-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is AEWULDDEHUVBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3S/c1-7-4-10(14)11(15)5-12(7)21(18,19)17-9(3)13-16-6-8(2)20-13/h4-6,9,17H,15H2,1-3H3.
What are the key properties of 5-amino-4-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
5-amino-4-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-4-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106387564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).