N-pyridin-3-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide

C20H14F3N5O2S — CID 146082674

IUPACN-pyridin-3-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1
InChIInChI=1S/C20H14F3N5O2S/c21-20(22,23)19-26-17-6-2-1-5-16(17)18(27-19)25-13-7-9-15(10-8-13)31(29,30)28-14-4-3-11-24-12-14/h1-12,28H,(H,25,26,27)
InChIKeySQHOYERDTMXCTG-UHFFFAOYSA-N
MW445.43 g/mol
LogP4.59
Rot. Bonds5

About N-pyridin-3-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide

N-pyridin-3-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide (PubChem CID 146082674) has the molecular formula C20H14F3N5O2S and a molecular weight of 445.43 g/mol. Its IUPAC name is N-pyridin-3-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-pyridin-3-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide
PubChem CID146082674
Molecular FormulaC20H14F3N5O2S
Molecular Weight445.43 g/mol
Exact Mass445.08
IUPAC NameN-pyridin-3-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1)c1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1
InChIInChI=1S/C20H14F3N5O2S/c21-20(22,23)19-26-17-6-2-1-5-16(17)18(27-19)25-13-7-9-15(10-8-13)31(29,30)28-14-4-3-11-24-12-14/h1-12,28H,(H,25,26,27)
InChIKeySQHOYERDTMXCTG-UHFFFAOYSA-N
XLogP4.59
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.43
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-propan-2-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide
CID 146082671
N-(1-methoxypropan-2-yl)-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide
CID 146082664
N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 32677860
N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003222
N-pyridin-3-ylnaphthalene-2-sulfonamide
CID 849014
6-fluoro-N-phenyl-2-(trifluoromethyl)quinazolin-4-amine
CID 110434628
N,N,2-trimethyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide
CID 17451276
4-fluoro-N-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclobutyl]benzenesulfonamide
CID 138042938
4-chloro-N-[3-[4-(trifluoromethyl)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 1389033
methyl 3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate
CID 71689070
2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]phenol
CID 21003212
[2-(trifluoromethyl)quinazolin-4-yl]hydrazine
CID 1475464

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide?
The IUPAC name of N-pyridin-3-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide (CID 146082674) is N-pyridin-3-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-pyridin-3-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide?
The canonical SMILES for N-pyridin-3-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide is O=S(=O)(Nc1cccnc1)c1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1.
What is the InChIKey of N-pyridin-3-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide?
The InChIKey is SQHOYERDTMXCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O2S/c21-20(22,23)19-26-17-6-2-1-5-16(17)18(27-19)25-13-7-9-15(10-8-13)31(29,30)28-14-4-3-11-24-12-14/h1-12,28H,(H,25,26,27).
What are the key properties of N-pyridin-3-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide?
N-pyridin-3-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide has a molecular weight of 445.43 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide is sourced from PubChem (CID 146082674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).