1-(2,5-dimethoxyphenyl)-2,2,2-trifluoroethanesulfonamide

C10H12F3NO4S — CID 114827630

IUPAC1-(2,5-dimethoxyphenyl)-2,2,2-trifluoroethanesulfonamide
SMILESCOc1ccc(OC)c(C(C(F)(F)F)S(N)(=O)=O)c1
InChIInChI=1S/C10H12F3NO4S/c1-17-6-3-4-8(18-2)7(5-6)9(10(11,12)13)19(14,15)16/h3-5,9H,1-2H3,(H2,14,15,16)
InChIKeyVPOLHMDOOZCMSC-UHFFFAOYSA-N
MW299.27 g/mol
LogP1.60
Rot. Bonds4

About 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoroethanesulfonamide

1-(2,5-dimethoxyphenyl)-2,2,2-trifluoroethanesulfonamide (PubChem CID 114827630) has the molecular formula C10H12F3NO4S and a molecular weight of 299.27 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2,2,2-trifluoroethanesulfonamide
PubChem CID114827630
Molecular FormulaC10H12F3NO4S
Molecular Weight299.27 g/mol
Exact Mass299.04
IUPAC Name1-(2,5-dimethoxyphenyl)-2,2,2-trifluoroethanesulfonamide
SMILESCOc1ccc(OC)c(C(C(F)(F)F)S(N)(=O)=O)c1
InChIInChI=1S/C10H12F3NO4S/c1-17-6-3-4-8(18-2)7(5-6)9(10(11,12)13)19(14,15)16/h3-5,9H,1-2H3,(H2,14,15,16)
InChIKeyVPOLHMDOOZCMSC-UHFFFAOYSA-N
XLogP1.60
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-2,2,2-trifluoroethanesulfonamide
CID 114827735
1-(3-bromo-4-methoxyphenyl)-2,2,2-trifluoroethanesulfonamide
CID 114827602
1-(2,5-dimethoxyphenyl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914326
1-(2,5-dimethoxyphenyl)ethyl methanesulfonate
CID 102620734
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
dimethyl 2-(2,5-dimethoxyphenyl)propanedioate
CID 94278774
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 51389866
1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16790008
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
2-(2,5-dimethoxyphenyl)propanal
CID 596766
(2,5-dimethoxyphenyl) sulfamate
CID 56992916
1-(2,5-dimethoxyphenyl)-2-methoxy-2-methylpropan-1-amine
CID 79197544

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoroethanesulfonamide (CID 114827630) is 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoroethanesulfonamide is COc1ccc(OC)c(C(C(F)(F)F)S(N)(=O)=O)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoroethanesulfonamide?
The InChIKey is VPOLHMDOOZCMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO4S/c1-17-6-3-4-8(18-2)7(5-6)9(10(11,12)13)19(14,15)16/h3-5,9H,1-2H3,(H2,14,15,16).
What are the key properties of 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoroethanesulfonamide?
1-(2,5-dimethoxyphenyl)-2,2,2-trifluoroethanesulfonamide has a molecular weight of 299.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 114827630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).