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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Related Compounds

1-(3-methyl-1,2-oxazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 72120601
N-[1-(4-fluorophenyl)ethyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
CID 72137948
N-(2-(3-methylisoxazol-5-yl)ethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 71789764
1-(3-fluorophenyl)-N-(2-(3-methylisoxazol-5-yl)ethyl)methanesulfonamide
CID 71789767
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-phenylpropane-1-sulfonamide
CID 71914438
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
CID 72120655
N-(2-fluoro-6-methylphenyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 75449114
N-[(4-fluorophenyl)methyl]-N-methyl-2-[4-(1,2-oxazol-3-ylmethylsulfonyl)piperazin-1-yl]ethanamine
CID 75456034
N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 95636001
N-[(1S)-2,2-dimethyl-1-(2-methylphenyl)propyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 96563411
N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 97589673
N-[(1S,3R)-2,2-dimethyl-3-phenylcyclopropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 126822335

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).