N-pyridin-2-yl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonamide

C21H15F3N4O2S — CID 73346375

IUPACN-pyridin-2-yl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1
InChIInChI=1S/C21H15F3N4O2S/c22-21(23,24)14-4-9-17-18(10-12-25-19(17)13-14)27-15-5-7-16(8-6-15)31(29,30)28-20-3-1-2-11-26-20/h1-13H,(H,25,27)(H,26,28)
InChIKeyQDCYVOHZOPNONG-UHFFFAOYSA-N
MW444.44 g/mol
LogP5.19
Rot. Bonds5

About N-pyridin-2-yl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonamide

N-pyridin-2-yl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonamide (PubChem CID 73346375) has the molecular formula C21H15F3N4O2S and a molecular weight of 444.44 g/mol. Its IUPAC name is N-pyridin-2-yl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-pyridin-2-yl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonamide
PubChem CID73346375
Molecular FormulaC21H15F3N4O2S
Molecular Weight444.44 g/mol
Exact Mass444.09
IUPAC NameN-pyridin-2-yl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1
InChIInChI=1S/C21H15F3N4O2S/c22-21(23,24)14-4-9-17-18(10-12-25-19(17)13-14)27-15-5-7-16(8-6-15)31(29,30)28-20-3-1-2-11-26-20/h1-13H,(H,25,27)(H,26,28)
InChIKeyQDCYVOHZOPNONG-UHFFFAOYSA-N
XLogP5.19
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.44
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonamide?
The IUPAC name of N-pyridin-2-yl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonamide (CID 73346375) is N-pyridin-2-yl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-pyridin-2-yl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonamide?
The canonical SMILES for N-pyridin-2-yl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonamide is O=S(=O)(Nc1ccccn1)c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1.
What is the InChIKey of N-pyridin-2-yl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonamide?
The InChIKey is QDCYVOHZOPNONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2S/c22-21(23,24)14-4-9-17-18(10-12-25-19(17)13-14)27-15-5-7-16(8-6-15)31(29,30)28-20-3-1-2-11-26-20/h1-13H,(H,25,27)(H,26,28).
What are the key properties of N-pyridin-2-yl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonamide?
N-pyridin-2-yl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonamide has a molecular weight of 444.44 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonamide is sourced from PubChem (CID 73346375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).