N-methoxy-N-phenyl-4-(trifluoromethyl)benzenesulfonamide

C14H12F3NO3S — CID 166448950

IUPACN-methoxy-N-phenyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCON(c1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO3S/c1-21-18(12-5-3-2-4-6-12)22(19,20)13-9-7-11(8-10-13)14(15,16)17/h2-10H,1H3
InChIKeyAZXJMXCJLJEVJS-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.46
Rot. Bonds4

About N-methoxy-N-phenyl-4-(trifluoromethyl)benzenesulfonamide

N-methoxy-N-phenyl-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 166448950) has the molecular formula C14H12F3NO3S and a molecular weight of 331.32 g/mol. Its IUPAC name is N-methoxy-N-phenyl-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methoxy-N-phenyl-4-(trifluoromethyl)benzenesulfonamide
PubChem CID166448950
Molecular FormulaC14H12F3NO3S
Molecular Weight331.32 g/mol
Exact Mass331.05
IUPAC NameN-methoxy-N-phenyl-4-(trifluoromethyl)benzenesulfonamide
SMILESCON(c1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO3S/c1-21-18(12-5-3-2-4-6-12)22(19,20)13-9-7-11(8-10-13)14(15,16)17/h2-10H,1H3
InChIKeyAZXJMXCJLJEVJS-UHFFFAOYSA-N
XLogP3.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-N-phenylbenzenesulfonamide
CID 10801496
carbon dioxide;N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 159596379
2-hydroxy-5-[methoxy(phenyl)sulfamoyl]benzoic acid
CID 57476934
N-methoxy-N-(trifluoromethyl)benzenesulfonamide
CID 13351208
N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3835730
[phenyl-bis[4-(trifluoromethyl)phenyl]-λ4-sulfanyl] 4-(trifluoromethyl)benzenesulfonate
CID 87484672
2-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
CID 53381751
N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 115319055
2-[N-(4-phenoxyphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide
CID 166987972
4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]naphthalene-1-carboxylic acid
CID 174508728
N-propan-2-yl-N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide
CID 12000645
N-(phenoxymethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 70132879

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-phenyl-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-methoxy-N-phenyl-4-(trifluoromethyl)benzenesulfonamide (CID 166448950) is N-methoxy-N-phenyl-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-methoxy-N-phenyl-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-methoxy-N-phenyl-4-(trifluoromethyl)benzenesulfonamide is CON(c1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methoxy-N-phenyl-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AZXJMXCJLJEVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO3S/c1-21-18(12-5-3-2-4-6-12)22(19,20)13-9-7-11(8-10-13)14(15,16)17/h2-10H,1H3.
What are the key properties of N-methoxy-N-phenyl-4-(trifluoromethyl)benzenesulfonamide?
N-methoxy-N-phenyl-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 331.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-phenyl-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 166448950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).