N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzenesulfonamide

C13H12F4N2O3S — CID 166264667

IUPACN-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzenesulfonamide
SMILESCN(C1(C#N)CCOC1)S(=O)(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H12F4N2O3S/c1-19(12(7-18)2-3-22-8-12)23(20,21)11-5-9(13(15,16)17)4-10(14)6-11/h4-6H,2-3,8H2,1H3
InChIKeyRLZKTVZXYSNBID-UHFFFAOYSA-N
MW352.31 g/mol
LogP2.15
Rot. Bonds3

About N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzenesulfonamide

N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 166264667) has the molecular formula C13H12F4N2O3S and a molecular weight of 352.31 g/mol. Its IUPAC name is N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzenesulfonamide
PubChem CID166264667
Molecular FormulaC13H12F4N2O3S
Molecular Weight352.31 g/mol
Exact Mass352.05
IUPAC NameN-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzenesulfonamide
SMILESCN(C1(C#N)CCOC1)S(=O)(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C13H12F4N2O3S/c1-19(12(7-18)2-3-22-8-12)23(20,21)11-5-9(13(15,16)17)4-10(14)6-11/h4-6H,2-3,8H2,1H3
InChIKeyRLZKTVZXYSNBID-UHFFFAOYSA-N
XLogP2.15
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-4-(propylsulfonylamino)benzenesulfonamide
CID 75458245
5-chloro-N-(3-cyanooxolan-3-yl)-N-methylthiophene-2-sulfonamide
CID 75478474
N-[(3S)-3-cyanooxolan-3-yl]-N,4,5-trimethylthiophene-2-sulfonamide
CID 99624673
1-(5-chloro-2-fluorophenyl)-N-[(3R)-3-cyanooxolan-3-yl]-N-methylmethanesulfonamide
CID 99842239
2-chloro-N-(3-cyanooxolan-3-yl)-N,5-dimethylbenzenesulfonamide
CID 75478804
3-(dimethylamino)oxolane-3-carbonitrile
CID 10630582
N-[(3R)-3-cyanooxolan-3-yl]-4-(ethylsulfonylamino)-2-methoxy-N-methylbenzenesulfonamide
CID 97309005
4-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]oxane-4-carbonitrile
CID 115351360
N-(1-cyanocyclopentyl)-N,3-dimethylbenzenesulfonamide
CID 94700792
1-[[4-(dimethylamino)oxan-4-yl]methyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
CID 72863043
3-cyano-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104706009
4-[3-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-4-methyl-2-(4-methylsulfanylphenyl)oxane
CID 118432462

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzenesulfonamide (CID 166264667) is N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzenesulfonamide is CN(C1(C#N)CCOC1)S(=O)(=O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RLZKTVZXYSNBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N2O3S/c1-19(12(7-18)2-3-22-8-12)23(20,21)11-5-9(13(15,16)17)4-10(14)6-11/h4-6H,2-3,8H2,1H3.
What are the key properties of N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzenesulfonamide?
N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 352.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanooxolan-3-yl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 166264667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).