N-(3-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide

C14H11FN2O4S — CID 53085812

IUPACN-(3-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)Nc3cccc(F)c3)o2)on1
InChIInChI=1S/C14H11FN2O4S/c1-9-7-13(21-16-9)12-5-6-14(20-12)22(18,19)17-11-4-2-3-10(15)8-11/h2-8,17H,1H3
InChIKeyBMSPFZGLVMOSAR-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.18
Rot. Bonds4

About N-(3-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide

N-(3-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide (PubChem CID 53085812) has the molecular formula C14H11FN2O4S and a molecular weight of 322.32 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
PubChem CID53085812
Molecular FormulaC14H11FN2O4S
Molecular Weight322.32 g/mol
Exact Mass322.04
IUPAC NameN-(3-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)Nc3cccc(F)c3)o2)on1
InChIInChI=1S/C14H11FN2O4S/c1-9-7-13(21-16-9)12-5-6-14(20-12)22(18,19)17-11-4-2-3-10(15)8-11/h2-8,17H,1H3
InChIKeyBMSPFZGLVMOSAR-UHFFFAOYSA-N
XLogP3.18
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085849
N-(3-chloro-4-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085828
N-(2,3-dimethylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085804
N-[(2S)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 95073598
N-[(2R)-butan-2-yl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 95073597
5-(aminomethyl)-N-(3-fluorophenyl)furan-2-sulfonamide
CID 106060640
4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 17377299
N-[(4-chlorophenyl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085799
N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16606648
2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 53094757
2-ethyl-N-(3-ethylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936387
5-ethyl-N-(3-fluorophenyl)thiophene-2-sulfonamide
CID 47309123

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide?
The IUPAC name of N-(3-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide (CID 53085812) is N-(3-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide is Cc1cc(-c2ccc(S(=O)(=O)Nc3cccc(F)c3)o2)on1.
What is the InChIKey of N-(3-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide?
The InChIKey is BMSPFZGLVMOSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4S/c1-9-7-13(21-16-9)12-5-6-14(20-12)22(18,19)17-11-4-2-3-10(15)8-11/h2-8,17H,1H3.
What are the key properties of N-(3-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide?
N-(3-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide has a molecular weight of 322.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide is sourced from PubChem (CID 53085812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).