1-(2-cyanophenyl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide

C10H9F3N2O3S — CID 82714915

IUPAC1-(2-cyanophenyl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)NOCC(F)(F)F
InChIInChI=1S/C10H9F3N2O3S/c11-10(12,13)7-18-15-19(16,17)6-9-4-2-1-3-8(9)5-14/h1-4,15H,6-7H2
InChIKeyGHXCGGRPEPYVPX-UHFFFAOYSA-N
MW294.25 g/mol
LogP1.47
Rot. Bonds5

About 1-(2-cyanophenyl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide

1-(2-cyanophenyl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide (PubChem CID 82714915) has the molecular formula C10H9F3N2O3S and a molecular weight of 294.25 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide
PubChem CID82714915
Molecular FormulaC10H9F3N2O3S
Molecular Weight294.25 g/mol
Exact Mass294.03
IUPAC Name1-(2-cyanophenyl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)NOCC(F)(F)F
InChIInChI=1S/C10H9F3N2O3S/c11-10(12,13)7-18-15-19(16,17)6-9-4-2-1-3-8(9)5-14/h1-4,15H,6-7H2
InChIKeyGHXCGGRPEPYVPX-UHFFFAOYSA-N
XLogP1.47
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,2,2-trifluoroethylsulfonylmethyl)benzonitrile
CID 167686431
1-(2-cyanophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)methanesulfonamide
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1-(2-cyanophenyl)-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide
CID 60681191
4-[(2-cyanophenyl)methylsulfonylamino]-3-hydroxy-3-methylbutanoic acid
CID 66000966
1-(2-cyanophenyl)-N-(2-cyclopentylethyl)methanesulfonamide
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2-[(2-cyanophenyl)methylsulfonylamino]-2-ethylbutanoic acid
CID 79814363
2-(2-cyanophenoxy)-N-(2,2,2-trifluoroethoxy)acetamide
CID 81343426
N-(3-azidopropyl)-1-(2-cyanophenyl)methanesulfonamide
CID 61344906
1-(2-cyanophenyl)-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide
CID 104600391
3-[(2-cyanophenyl)methylsulfonylamino]propanamide
CID 43553730
1-(2-cyanophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]methanesulfonamide
CID 103830180
1-(2-cyanophenyl)-N-(4-ethylphenyl)methanesulfonamide
CID 29267673

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide (CID 82714915) is 1-(2-cyanophenyl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide is N#Cc1ccccc1CS(=O)(=O)NOCC(F)(F)F.
What is the InChIKey of 1-(2-cyanophenyl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide?
The InChIKey is GHXCGGRPEPYVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3S/c11-10(12,13)7-18-15-19(16,17)6-9-4-2-1-3-8(9)5-14/h1-4,15H,6-7H2.
What are the key properties of 1-(2-cyanophenyl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide?
1-(2-cyanophenyl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide has a molecular weight of 294.25 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-(2,2,2-trifluoroethoxy)methanesulfonamide is sourced from PubChem (CID 82714915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).