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

C13H12FN3O3S — CID 103947097

IUPAC3-cyano-4-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2ccc(F)c(C#N)c2)o1
InChIInChI=1S/C13H12FN3O3S/c1-8-7-16-13(20-8)9(2)17-21(18,19)11-3-4-12(14)10(5-11)6-15/h3-5,7,9,17H,1-2H3
InChIKeyFZIWUGVFOLDPGT-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.03
Rot. Bonds4

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

3-cyano-4-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 103947097) has the molecular formula C13H12FN3O3S and a molecular weight of 309.32 g/mol. Its IUPAC name is 3-cyano-4-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
PubChem CID103947097
Molecular FormulaC13H12FN3O3S
Molecular Weight309.32 g/mol
Exact Mass309.06
IUPAC Name3-cyano-4-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2ccc(F)c(C#N)c2)o1
InChIInChI=1S/C13H12FN3O3S/c1-8-7-16-13(20-8)9(2)17-21(18,19)11-3-4-12(14)10(5-11)6-15/h3-5,7,9,17H,1-2H3
InChIKeyFZIWUGVFOLDPGT-UHFFFAOYSA-N
XLogP2.03
TPSA95.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106390169
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106389555
(2R)-2-[(3-cyano-4-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 79011250
2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanamide
CID 63239306
3-cyano-4-fluoro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 113318233
methyl 2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanoate
CID 63288587
3-cyano-4-fluoro-N-(4,4,4-trifluorobutan-2-yl)benzenesulfonamide
CID 104854815
5-amino-3-fluoro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387563
3-cyano-N-(2-cyanopropyl)-4-fluorobenzenesulfonamide
CID 63287874
4-chloro-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile
CID 106544926
3-cyano-N-(1-ethylsulfanylpropan-2-yl)-4-fluorobenzenesulfonamide
CID 115662785
2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide
CID 106389711

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-cyano-4-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide (CID 103947097) is 3-cyano-4-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-4-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide is Cc1cnc(C(C)NS(=O)(=O)c2ccc(F)c(C#N)c2)o1.
What is the InChIKey of 3-cyano-4-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is FZIWUGVFOLDPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3S/c1-8-7-16-13(20-8)9(2)17-21(18,19)11-3-4-12(14)10(5-11)6-15/h3-5,7,9,17H,1-2H3.
What are the key properties of 3-cyano-4-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
3-cyano-4-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 309.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 103947097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).