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

C14H12F3NO3S — CID 3768333

IUPAC4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H12F3NO3S/c1-21-12-6-8-13(9-7-12)22(19,20)18-11-4-2-10(3-5-11)14(15,16)17/h2-9,18H,1H3
InChIKeyVQKIAWHMKWEQBH-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.51
Rot. Bonds4

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

4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 3768333) has the molecular formula C14H12F3NO3S and a molecular weight of 331.32 g/mol. Its IUPAC name is 4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID3768333
Molecular FormulaC14H12F3NO3S
Molecular Weight331.32 g/mol
Exact Mass331.05
IUPAC Name4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H12F3NO3S/c1-21-12-6-8-13(9-7-12)22(19,20)18-11-4-2-10(3-5-11)14(15,16)17/h2-9,18H,1H3
InChIKeyVQKIAWHMKWEQBH-UHFFFAOYSA-N
XLogP3.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 3768333) is 4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is VQKIAWHMKWEQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO3S/c1-21-12-6-8-13(9-7-12)22(19,20)18-11-4-2-10(3-5-11)14(15,16)17/h2-9,18H,1H3.
What are the key properties of 4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 331.32 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3768333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).