N-[4-(3,4-difluorophenyl)butan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide

C14H16F2N2O3S — CID 71997620

IUPACN-[4-(3,4-difluorophenyl)butan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCC(CCc1ccc(F)c(F)c1)NS(=O)(=O)Cc1ccon1
InChIInChI=1S/C14H16F2N2O3S/c1-10(2-3-11-4-5-13(15)14(16)8-11)18-22(19,20)9-12-6-7-21-17-12/h4-8,10,18H,2-3,9H2,1H3
InChIKeyULEBNHBTAFAFBV-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.39
Rot. Bonds7

About N-[4-(3,4-difluorophenyl)butan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide

N-[4-(3,4-difluorophenyl)butan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 71997620) has the molecular formula C14H16F2N2O3S and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)butan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)butan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide
PubChem CID71997620
Molecular FormulaC14H16F2N2O3S
Molecular Weight330.36 g/mol
Exact Mass330.08
IUPAC NameN-[4-(3,4-difluorophenyl)butan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCC(CCc1ccc(F)c(F)c1)NS(=O)(=O)Cc1ccon1
InChIInChI=1S/C14H16F2N2O3S/c1-10(2-3-11-4-5-13(15)14(16)8-11)18-22(19,20)9-12-6-7-21-17-12/h4-8,10,18H,2-3,9H2,1H3
InChIKeyULEBNHBTAFAFBV-UHFFFAOYSA-N
XLogP2.39
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)butan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)butan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide (CID 71997620) is N-[4-(3,4-difluorophenyl)butan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)butan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)butan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide is CC(CCc1ccc(F)c(F)c1)NS(=O)(=O)Cc1ccon1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)butan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is ULEBNHBTAFAFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3S/c1-10(2-3-11-4-5-13(15)14(16)8-11)18-22(19,20)9-12-6-7-21-17-12/h4-8,10,18H,2-3,9H2,1H3.
What are the key properties of N-[4-(3,4-difluorophenyl)butan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
N-[4-(3,4-difluorophenyl)butan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 330.36 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)butan-2-yl]-1-(1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 71997620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).