3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

C15H14F3NO4S — CID 1141921

IUPAC3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C15H14F3NO4S/c1-22-13-7-6-12(9-14(13)23-2)24(20,21)19-11-5-3-4-10(8-11)15(16,17)18/h3-9,19H,1-2H3
InChIKeyYVSYKLQTTXWZDJ-UHFFFAOYSA-N
MW361.34 g/mol
LogP3.52
Rot. Bonds5

About 3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide

3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 1141921) has the molecular formula C15H14F3NO4S and a molecular weight of 361.34 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID1141921
Molecular FormulaC15H14F3NO4S
Molecular Weight361.34 g/mol
Exact Mass361.06
IUPAC Name3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C15H14F3NO4S/c1-22-13-7-6-12(9-14(13)23-2)24(20,21)19-11-5-3-4-10(8-11)15(16,17)18/h3-9,19H,1-2H3
InChIKeyYVSYKLQTTXWZDJ-UHFFFAOYSA-N
XLogP3.52
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 1141921) is 3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is YVSYKLQTTXWZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO4S/c1-22-13-7-6-12(9-14(13)23-2)24(20,21)19-11-5-3-4-10(8-11)15(16,17)18/h3-9,19H,1-2H3.
What are the key properties of 3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide?
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 361.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1141921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).