N,N,2-trimethyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide

C18H17F3N4O2S — CID 17451276

IUPACN,N,2-trimethyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide
SMILESCc1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H17F3N4O2S/c1-11-8-9-12(10-15(11)28(26,27)25(2)3)22-16-13-6-4-5-7-14(13)23-17(24-16)18(19,20)21/h4-10H,1-3H3,(H,22,23,24)
InChIKeyHAFQHAIELHFZDD-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.95
Rot. Bonds4

About N,N,2-trimethyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide

N,N,2-trimethyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide (PubChem CID 17451276) has the molecular formula C18H17F3N4O2S and a molecular weight of 410.42 g/mol. Its IUPAC name is N,N,2-trimethyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N,2-trimethyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide
PubChem CID17451276
Molecular FormulaC18H17F3N4O2S
Molecular Weight410.42 g/mol
Exact Mass410.10
IUPAC NameN,N,2-trimethyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide
SMILESCc1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H17F3N4O2S/c1-11-8-9-12(10-15(11)28(26,27)25(2)3)22-16-13-6-4-5-7-14(13)23-17(24-16)18(19,20)21/h4-10H,1-3H3,(H,22,23,24)
InChIKeyHAFQHAIELHFZDD-UHFFFAOYSA-N
XLogP3.95
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide?
The IUPAC name of N,N,2-trimethyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide (CID 17451276) is N,N,2-trimethyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide.
What is the SMILES notation for N,N,2-trimethyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide?
The canonical SMILES for N,N,2-trimethyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide is Cc1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N,N,2-trimethyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide?
The InChIKey is HAFQHAIELHFZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2S/c1-11-8-9-12(10-15(11)28(26,27)25(2)3)22-16-13-6-4-5-7-14(13)23-17(24-16)18(19,20)21/h4-10H,1-3H3,(H,22,23,24).
What are the key properties of N,N,2-trimethyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide?
N,N,2-trimethyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide has a molecular weight of 410.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide is sourced from PubChem (CID 17451276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).