N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-sulfonamide

C12H13FN2O3S — CID 138709920

IUPACN-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-sulfonamide
SMILESCc1nocc1S(=O)(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C12H13FN2O3S/c1-9-12(8-18-15-9)19(16,17)14-7-6-10-2-4-11(13)5-3-10/h2-5,8,14H,6-7H2,1H3
InChIKeySHHGWQVSUUMRQF-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.64
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-sulfonamide

N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-sulfonamide (PubChem CID 138709920) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-sulfonamide
PubChem CID138709920
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-sulfonamide
SMILESCc1nocc1S(=O)(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C12H13FN2O3S/c1-9-12(8-18-15-9)19(16,17)14-7-6-10-2-4-11(13)5-3-10/h2-5,8,14H,6-7H2,1H3
InChIKeySHHGWQVSUUMRQF-UHFFFAOYSA-N
XLogP1.64
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-sulfonamide
CID 3861893
3,5-dimethyl-N-(4-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 5165886
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-sulfonamide
CID 3241534
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N,3,5-trimethylisoxazole-4-sulfonamide
CID 51346970
trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-ethyl-3,5-dimethylisoxazole-4-sulfonamide
CID 53321486
3,5-dimethyl-N-[(4-phenylphenyl)methyl]-1,2-oxazole-4-sulfonamide
CID 53323476
3,5-dimethyl-N-(3-methylphenyl)isoxazole-4-sulfonamide
CID 6621829
N-(4-ethylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 20851638
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3666206
N-Benzhydryl-3,5-dimethylisoxazole-4-sulfonamide
CID 7436912
N-[(4-fluorophenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 8351137
3,5-dimethyl-N-(2-phenylbutyl)-1,2-oxazole-4-sulfonamide
CID 45843573

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-sulfonamide (CID 138709920) is N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-sulfonamide is Cc1nocc1S(=O)(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-sulfonamide?
The InChIKey is SHHGWQVSUUMRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c1-9-12(8-18-15-9)19(16,17)14-7-6-10-2-4-11(13)5-3-10/h2-5,8,14H,6-7H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-sulfonamide?
N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-sulfonamide has a molecular weight of 284.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 138709920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).