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

C14H12F3NO3S — CID 2538540

IUPAC2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO3S/c1-21-12-4-2-3-5-13(12)22(19,20)18-11-8-6-10(7-9-11)14(15,16)17/h2-9,18H,1H3
InChIKeyXZPGIRSMEKIOCT-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.51
Rot. Bonds4

About 2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 2538540) has the molecular formula C14H12F3NO3S and a molecular weight of 331.32 g/mol. Its IUPAC name is 2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID2538540
Molecular FormulaC14H12F3NO3S
Molecular Weight331.32 g/mol
Exact Mass331.05
IUPAC Name2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO3S/c1-21-12-4-2-3-5-13(12)22(19,20)18-11-8-6-10(7-9-11)14(15,16)17/h2-9,18H,1H3
InChIKeyXZPGIRSMEKIOCT-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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Related Compounds

2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970310
N-(4-cyanophenyl)-2-methoxybenzenesulfonamide
CID 47104401
5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
CID 850108
N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3841687
2-methoxy-N-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 82715039
2-methoxy-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 47784110
N-methyl-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzamide
CID 3715374
N-tert-butyl-2-methoxybenzenesulfonamide
CID 23448664
methyl 2-methoxy-4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]benzoate
CID 3811980
N-[4-(2-methoxyphenoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2194167
2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 35185568

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 2538540) is 2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is XZPGIRSMEKIOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO3S/c1-21-12-4-2-3-5-13(12)22(19,20)18-11-8-6-10(7-9-11)14(15,16)17/h2-9,18H,1H3.
What are the key properties of 2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
2-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 2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2538540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).