N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide

C21H14FN3O4S — CID 154811074

IUPACN-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESN#Cc1nc(-c2ccccc2)oc1N(Cc1ccco1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H14FN3O4S/c22-16-8-10-18(11-9-16)30(26,27)25(14-17-7-4-12-28-17)21-19(13-23)24-20(29-21)15-5-2-1-3-6-15/h1-12H,14H2
InChIKeyUAVZCTSEKQHMRZ-UHFFFAOYSA-N
MW423.43 g/mol
LogP4.34
Rot. Bonds6

About N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide

N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 154811074) has the molecular formula C21H14FN3O4S and a molecular weight of 423.43 g/mol. Its IUPAC name is N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID154811074
Molecular FormulaC21H14FN3O4S
Molecular Weight423.43 g/mol
Exact Mass423.07
IUPAC NameN-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESN#Cc1nc(-c2ccccc2)oc1N(Cc1ccco1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H14FN3O4S/c22-16-8-10-18(11-9-16)30(26,27)25(14-17-7-4-12-28-17)21-19(13-23)24-20(29-21)15-5-2-1-3-6-15/h1-12H,14H2
InChIKeyUAVZCTSEKQHMRZ-UHFFFAOYSA-N
XLogP4.34
TPSA100.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide (CID 154811074) is N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide is N#Cc1nc(-c2ccccc2)oc1N(Cc1ccco1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is UAVZCTSEKQHMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O4S/c22-16-8-10-18(11-9-16)30(26,27)25(14-17-7-4-12-28-17)21-19(13-23)24-20(29-21)15-5-2-1-3-6-15/h1-12H,14H2.
What are the key properties of N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 423.43 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-phenyl-1,3-oxazol-5-yl)-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 154811074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).