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

C18H17F3N4O2S — CID 146082671

IUPACN-propan-2-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1
InChIInChI=1S/C18H17F3N4O2S/c1-11(2)25-28(26,27)13-9-7-12(8-10-13)22-16-14-5-3-4-6-15(14)23-17(24-16)18(19,20)21/h3-11,25H,1-2H3,(H,22,23,24)
InChIKeyWPXBPZAGSAZJMM-UHFFFAOYSA-N
MW410.42 g/mol
LogP4.08
Rot. Bonds5

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

N-propan-2-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide (PubChem CID 146082671) has the molecular formula C18H17F3N4O2S and a molecular weight of 410.42 g/mol. Its IUPAC name is N-propan-2-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide
PubChem CID146082671
Molecular FormulaC18H17F3N4O2S
Molecular Weight410.42 g/mol
Exact Mass410.10
IUPAC NameN-propan-2-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1
InChIInChI=1S/C18H17F3N4O2S/c1-11(2)25-28(26,27)13-9-7-12(8-10-13)22-16-14-5-3-4-6-15(14)23-17(24-16)18(19,20)21/h3-11,25H,1-2H3,(H,22,23,24)
InChIKeyWPXBPZAGSAZJMM-UHFFFAOYSA-N
XLogP4.08
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxypropan-2-yl)-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide
CID 146082664
N-pyridin-3-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide
CID 146082674
N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 32677860
N,N,2-trimethyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide
CID 17451276
N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003222
4-fluoro-N-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclobutyl]benzenesulfonamide
CID 138042938
4-[(2-propan-2-ylquinazolin-4-yl)amino]benzenesulfonamide
CID 110434808
N-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 155520248
N-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 70704050
methyl 3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate
CID 71689070
2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]phenol
CID 21003212
6-fluoro-N-phenyl-2-(trifluoromethyl)quinazolin-4-amine
CID 110434628

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide?
The IUPAC name of N-propan-2-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide (CID 146082671) is N-propan-2-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-propan-2-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide?
The canonical SMILES for N-propan-2-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1.
What is the InChIKey of N-propan-2-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide?
The InChIKey is WPXBPZAGSAZJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2S/c1-11(2)25-28(26,27)13-9-7-12(8-10-13)22-16-14-5-3-4-6-15(14)23-17(24-16)18(19,20)21/h3-11,25H,1-2H3,(H,22,23,24).
What are the key properties of N-propan-2-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide?
N-propan-2-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide has a molecular weight of 410.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide is sourced from PubChem (CID 146082671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).