N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide

C14H16ClFN2O3S — CID 71997572

IUPACN-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCC(C)(CNS(=O)(=O)Cc1ccon1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H16ClFN2O3S/c1-14(2,12-4-3-10(16)7-13(12)15)9-17-22(19,20)8-11-5-6-21-18-11/h3-7,17H,8-9H2,1-2H3
InChIKeySHXKJKDIQYCFNM-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.86
Rot. Bonds6

About N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide

N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 71997572) has the molecular formula C14H16ClFN2O3S and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
PubChem CID71997572
Molecular FormulaC14H16ClFN2O3S
Molecular Weight346.81 g/mol
Exact Mass346.06
IUPAC NameN-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
SMILESCC(C)(CNS(=O)(=O)Cc1ccon1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H16ClFN2O3S/c1-14(2,12-4-3-10(16)7-13(12)15)9-17-22(19,20)8-11-5-6-21-18-11/h3-7,17H,8-9H2,1-2H3
InChIKeySHXKJKDIQYCFNM-UHFFFAOYSA-N
XLogP2.86
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethylphenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 71975844
2-[4-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]sulfamoyl]phenyl]acetic acid
CID 146092760
2-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63036008
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)morpholine-4-carboxamide
CID 71861151
3-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole
CID 146144239
(2S)-2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-methylsulfanylbutanamide
CID 119325004
2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pentanamide
CID 119325016
2-(4-aminophenyl)-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119786039
1-(1,2-oxazol-3-yl)-N-[(2-phenoxyphenyl)methyl]methanesulfonamide
CID 71997691
1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-ethyl-2-methylguanidine;hydroiodide
CID 111569104
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119786052
1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-3-ethyl-2-[(4-methylsulfonylphenyl)methyl]guanidine
CID 111568985

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide (CID 71997572) is N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide is CC(C)(CNS(=O)(=O)Cc1ccon1)c1ccc(F)cc1Cl.
What is the InChIKey of N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is SHXKJKDIQYCFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O3S/c1-14(2,12-4-3-10(16)7-13(12)15)9-17-22(19,20)8-11-5-6-21-18-11/h3-7,17H,8-9H2,1-2H3.
What are the key properties of N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide?
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 346.81 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 71997572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).