N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]benzenesulfonamide

C23H19F3N4O2S — CID 42470959

IUPACN-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nc(NCc2cccc(C(F)(F)F)c2)c2ccccc2n1)c1ccccc1
InChIInChI=1S/C23H19F3N4O2S/c24-23(25,26)17-8-6-7-16(13-17)14-27-22-19-11-4-5-12-20(19)29-21(30-22)15-28-33(31,32)18-9-2-1-3-10-18/h1-13,28H,14-15H2,(H,27,29,30)
InChIKeyHRUIRRBKDHOGAY-UHFFFAOYSA-N
MW472.49 g/mol
LogP4.74
Rot. Bonds7

About N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]benzenesulfonamide

N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]benzenesulfonamide (PubChem CID 42470959) has the molecular formula C23H19F3N4O2S and a molecular weight of 472.49 g/mol. Its IUPAC name is N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]benzenesulfonamide
PubChem CID42470959
Molecular FormulaC23H19F3N4O2S
Molecular Weight472.49 g/mol
Exact Mass472.12
IUPAC NameN-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nc(NCc2cccc(C(F)(F)F)c2)c2ccccc2n1)c1ccccc1
InChIInChI=1S/C23H19F3N4O2S/c24-23(25,26)17-8-6-7-16(13-17)14-27-22-19-11-4-5-12-20(19)29-21(30-22)15-28-33(31,32)18-9-2-1-3-10-18/h1-13,28H,14-15H2,(H,27,29,30)
InChIKeyHRUIRRBKDHOGAY-UHFFFAOYSA-N
XLogP4.74
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]ethanesulfonamide
CID 26349972
2-chloro-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]pyridine-4-carboxamide
CID 26361398
3-(5-methylpyrazol-1-yl)-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]propanamide
CID 42483287
2-cyclohexyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 69222459
N-[(3-aminophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 75415095
N-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145434130
N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 26534767
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 2442733
N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine
CID 69221219
3-(benzenesulfonyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 11978172
6-(benzenesulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 121260933

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]benzenesulfonamide (CID 42470959) is N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]benzenesulfonamide is O=S(=O)(NCc1nc(NCc2cccc(C(F)(F)F)c2)c2ccccc2n1)c1ccccc1.
What is the InChIKey of N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]benzenesulfonamide?
The InChIKey is HRUIRRBKDHOGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2S/c24-23(25,26)17-8-6-7-16(13-17)14-27-22-19-11-4-5-12-20(19)29-21(30-22)15-28-33(31,32)18-9-2-1-3-10-18/h1-13,28H,14-15H2,(H,27,29,30).
What are the key properties of N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]benzenesulfonamide?
N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]benzenesulfonamide has a molecular weight of 472.49 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 42470959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).