2-methoxy-N-(2,2,2-trifluoroethoxy)benzenesulfonamide

C9H10F3NO4S — CID 82715039

IUPAC2-methoxy-N-(2,2,2-trifluoroethoxy)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NOCC(F)(F)F
InChIInChI=1S/C9H10F3NO4S/c1-16-7-4-2-3-5-8(7)18(14,15)13-17-6-9(10,11)12/h2-5,13H,6H2,1H3
InChIKeyPUUZXQCEVRCUQE-UHFFFAOYSA-N
MW285.24 g/mol
LogP1.47
Rot. Bonds5

About 2-methoxy-N-(2,2,2-trifluoroethoxy)benzenesulfonamide

2-methoxy-N-(2,2,2-trifluoroethoxy)benzenesulfonamide (PubChem CID 82715039) has the molecular formula C9H10F3NO4S and a molecular weight of 285.24 g/mol. Its IUPAC name is 2-methoxy-N-(2,2,2-trifluoroethoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(2,2,2-trifluoroethoxy)benzenesulfonamide
PubChem CID82715039
Molecular FormulaC9H10F3NO4S
Molecular Weight285.24 g/mol
Exact Mass285.03
IUPAC Name2-methoxy-N-(2,2,2-trifluoroethoxy)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NOCC(F)(F)F
InChIInChI=1S/C9H10F3NO4S/c1-16-7-4-2-3-5-8(7)18(14,15)13-17-6-9(10,11)12/h2-5,13H,6H2,1H3
InChIKeyPUUZXQCEVRCUQE-UHFFFAOYSA-N
XLogP1.47
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
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

3-methoxy-4-(2,2,2-trifluoroethoxysulfamoyl)benzoic acid
CID 102695281
5-fluoro-2-methyl-N-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 82714803
2-methoxy-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 47784110
N-tert-butyl-2-methoxybenzenesulfonamide
CID 23448664
2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2538540
N-[(2-methoxyphenyl)methoxy]-2-methylsulfonylbenzenesulfonamide
CID 129056963
N-methoxy-2-(trifluoromethoxy)benzenesulfonamide
CID 60713586
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
2-[[2-(trifluoromethyl)phenyl]sulfonylamino]oxyacetic acid
CID 60661367
4-chloro-2-methyl-N-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 82715590
N-(2,2,2-trifluoroethoxy)naphthalene-2-sulfonamide
CID 82715252

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-(2,2,2-trifluoroethoxy)benzenesulfonamide (CID 82715039) is 2-methoxy-N-(2,2,2-trifluoroethoxy)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(2,2,2-trifluoroethoxy)benzenesulfonamide is COc1ccccc1S(=O)(=O)NOCC(F)(F)F.
What is the InChIKey of 2-methoxy-N-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The InChIKey is PUUZXQCEVRCUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO4S/c1-16-7-4-2-3-5-8(7)18(14,15)13-17-6-9(10,11)12/h2-5,13H,6H2,1H3.
What are the key properties of 2-methoxy-N-(2,2,2-trifluoroethoxy)benzenesulfonamide?
2-methoxy-N-(2,2,2-trifluoroethoxy)benzenesulfonamide has a molecular weight of 285.24 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 2-methoxy-N-(2,2,2-trifluoroethoxy)benzenesulfonamide is sourced from PubChem (CID 82715039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).