N-[6-[2,6-difluoro-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]quinazolin-2-yl]-2,2-dimethylpropanamide

C26H21F5N4O3S — CID 156832942

IUPACN-[6-[2,6-difluoro-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncc2cc(-c3c(F)ccc(NS(=O)(=O)c4cccc(C(F)(F)F)c4)c3F)ccc2n1
InChIInChI=1S/C26H21F5N4O3S/c1-25(2,3)23(36)34-24-32-13-15-11-14(7-9-19(15)33-24)21-18(27)8-10-20(22(21)28)35-39(37,38)17-6-4-5-16(12-17)26(29,30)31/h4-13,35H,1-3H3,(H,32,33,34,36)
InChIKeyCQUWFUQWVRAMPS-UHFFFAOYSA-N
MW564.54 g/mol
LogP6.38
Rot. Bonds5

About N-[6-[2,6-difluoro-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]quinazolin-2-yl]-2,2-dimethylpropanamide

N-[6-[2,6-difluoro-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]quinazolin-2-yl]-2,2-dimethylpropanamide (PubChem CID 156832942) has the molecular formula C26H21F5N4O3S and a molecular weight of 564.54 g/mol. Its IUPAC name is N-[6-[2,6-difluoro-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]quinazolin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[2,6-difluoro-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
PubChem CID156832942
Molecular FormulaC26H21F5N4O3S
Molecular Weight564.54 g/mol
Exact Mass564.13
IUPAC NameN-[6-[2,6-difluoro-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncc2cc(-c3c(F)ccc(NS(=O)(=O)c4cccc(C(F)(F)F)c4)c3F)ccc2n1
InChIInChI=1S/C26H21F5N4O3S/c1-25(2,3)23(36)34-24-32-13-15-11-14(7-9-19(15)33-24)21-18(27)8-10-20(22(21)28)35-39(37,38)17-6-4-5-16(12-17)26(29,30)31/h4-13,35H,1-3H3,(H,32,33,34,36)
InChIKeyCQUWFUQWVRAMPS-UHFFFAOYSA-N
XLogP6.38
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.54
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-[2,6-difluoro-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]quinazolin-2-yl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-[6-[3-[(3-chloro-4-fluorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
CID 156833144
N-[6-[3-(1-benzofuran-5-ylsulfonylamino)-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
CID 156833318
N-[6-[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
CID 156833152
N-[6-(3-amino-2,6-difluorophenyl)quinazolin-2-yl]-2,2-dimethylpropanamide;3-fluoro-5-(trifluoromethyl)benzenethiol;molecular hydrogen;dihydrate
CID 156833043
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3,4-dichlorobenzenesulfonamide
CID 156833076
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3-chloro-4-methylbenzenesulfonamide
CID 156833311
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide
CID 156833222
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2-methoxypyridine-3-sulfonamide
CID 176863733
5-chloro-N-[2,4-difluoro-3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]quinazolin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 156832891
N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 135058672
N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 40998603
methyl 3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 24651236

Frequently Asked Questions

What is the IUPAC name of N-[6-[2,6-difluoro-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]quinazolin-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-[2,6-difluoro-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]quinazolin-2-yl]-2,2-dimethylpropanamide (CID 156832942) is N-[6-[2,6-difluoro-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]quinazolin-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-[2,6-difluoro-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]quinazolin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-[2,6-difluoro-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]quinazolin-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ncc2cc(-c3c(F)ccc(NS(=O)(=O)c4cccc(C(F)(F)F)c4)c3F)ccc2n1.
What is the InChIKey of N-[6-[2,6-difluoro-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]quinazolin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is CQUWFUQWVRAMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F5N4O3S/c1-25(2,3)23(36)34-24-32-13-15-11-14(7-9-19(15)33-24)21-18(27)8-10-20(22(21)28)35-39(37,38)17-6-4-5-16(12-17)26(29,30)31/h4-13,35H,1-3H3,(H,32,33,34,36).
What are the key properties of N-[6-[2,6-difluoro-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]quinazolin-2-yl]-2,2-dimethylpropanamide?
N-[6-[2,6-difluoro-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]quinazolin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 564.54 g/mol, XLogP of 6.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2,6-difluoro-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]quinazolin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 156832942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).