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

C12H13F2N3O3S — CID 106368940

IUPAC5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,3-difluorobenzenesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2cc(N)cc(F)c2F)o1
InChIInChI=1S/C12H13F2N3O3S/c1-2-8-5-16-11(20-8)6-17-21(18,19)10-4-7(15)3-9(13)12(10)14/h3-5,17H,2,6,15H2,1H3
InChIKeyTVIPFRJDJUOCBU-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.58
Rot. Bonds5

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

5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,3-difluorobenzenesulfonamide (PubChem CID 106368940) has the molecular formula C12H13F2N3O3S and a molecular weight of 317.32 g/mol. Its IUPAC name is 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,3-difluorobenzenesulfonamide
PubChem CID106368940
Molecular FormulaC12H13F2N3O3S
Molecular Weight317.32 g/mol
Exact Mass317.06
IUPAC Name5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,3-difluorobenzenesulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2cc(N)cc(F)c2F)o1
InChIInChI=1S/C12H13F2N3O3S/c1-2-8-5-16-11(20-8)6-17-21(18,19)10-4-7(15)3-9(13)12(10)14/h3-5,17H,2,6,15H2,1H3
InChIKeyTVIPFRJDJUOCBU-UHFFFAOYSA-N
XLogP1.58
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,3-difluorobenzenesulfonamide with MolForge

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Related Compounds

N-[4-fluoro-3-[(4-fluorophenyl)sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide
CID 166755207
3-[(5-Tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-5-fluoroaniline
CID 64284173
2-fluoro-5-methylsulfonyl-N-(1,3-oxazol-5-ylmethyl)aniline
CID 65966556
N-ethyl-3-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 75435457
3-fluoro-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitrobenzenesulfonamide
CID 75510143
4-(difluoromethylsulfonyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
CID 75515224
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75519639
N-[2,4-difluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]acetamide
CID 84587850
2,4,5-trifluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
CID 86786151
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-difluorobenzenesulfonamide
CID 91648790
N-[2-fluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]phenyl]acetamide
CID 99818085
2-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 103718596

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,3-difluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,3-difluorobenzenesulfonamide (CID 106368940) is 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,3-difluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,3-difluorobenzenesulfonamide is CCc1cnc(CNS(=O)(=O)c2cc(N)cc(F)c2F)o1.
What is the InChIKey of 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,3-difluorobenzenesulfonamide?
The InChIKey is TVIPFRJDJUOCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O3S/c1-2-8-5-16-11(20-8)6-17-21(18,19)10-4-7(15)3-9(13)12(10)14/h3-5,17H,2,6,15H2,1H3.
What are the key properties of 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,3-difluorobenzenesulfonamide?
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,3-difluorobenzenesulfonamide has a molecular weight of 317.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 106368940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).