4-methoxy-N-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide

C19H15F3N2O3S — CID 154631927

IUPAC4-methoxy-N-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccnc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H15F3N2O3S/c1-27-15-8-10-16(11-9-15)28(25,26)24-17-3-2-12-23-18(17)13-4-6-14(7-5-13)19(20,21)22/h2-12,24H,1H3
InChIKeyDAEMMVKKDPTCNZ-UHFFFAOYSA-N
MW408.40 g/mol
LogP4.58
Rot. Bonds5

About 4-methoxy-N-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide

4-methoxy-N-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide (PubChem CID 154631927) has the molecular formula C19H15F3N2O3S and a molecular weight of 408.40 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide
PubChem CID154631927
Molecular FormulaC19H15F3N2O3S
Molecular Weight408.40 g/mol
Exact Mass408.08
IUPAC Name4-methoxy-N-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccnc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H15F3N2O3S/c1-27-15-8-10-16(11-9-15)28(25,26)24-17-3-2-12-23-18(17)13-4-6-14(7-5-13)19(20,21)22/h2-12,24H,1H3
InChIKeyDAEMMVKKDPTCNZ-UHFFFAOYSA-N
XLogP4.58
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide (CID 154631927) is 4-methoxy-N-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccnc2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is DAEMMVKKDPTCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3S/c1-27-15-8-10-16(11-9-15)28(25,26)24-17-3-2-12-23-18(17)13-4-6-14(7-5-13)19(20,21)22/h2-12,24H,1H3.
What are the key properties of 4-methoxy-N-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide?
4-methoxy-N-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 408.40 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 154631927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).