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

C19H16F4N4O2S — CID 138042938

IUPAC4-fluoro-N-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclobutyl]benzenesulfonamide
SMILESO=S(=O)(NC1CC(Nc2nc(C(F)(F)F)nc3ccccc23)C1)c1ccc(F)cc1
InChIInChI=1S/C19H16F4N4O2S/c20-11-5-7-14(8-6-11)30(28,29)27-13-9-12(10-13)24-17-15-3-1-2-4-16(15)25-18(26-17)19(21,22)23/h1-8,12-13,27H,9-10H2,(H,24,25,26)
InChIKeyRQOMOWXDMMIHGE-UHFFFAOYSA-N
MW440.42 g/mol
LogP3.71
Rot. Bonds5

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

4-fluoro-N-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclobutyl]benzenesulfonamide (PubChem CID 138042938) has the molecular formula C19H16F4N4O2S and a molecular weight of 440.42 g/mol. Its IUPAC name is 4-fluoro-N-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclobutyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclobutyl]benzenesulfonamide
PubChem CID138042938
Molecular FormulaC19H16F4N4O2S
Molecular Weight440.42 g/mol
Exact Mass440.09
IUPAC Name4-fluoro-N-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclobutyl]benzenesulfonamide
SMILESO=S(=O)(NC1CC(Nc2nc(C(F)(F)F)nc3ccccc23)C1)c1ccc(F)cc1
InChIInChI=1S/C19H16F4N4O2S/c20-11-5-7-14(8-6-11)30(28,29)27-13-9-12(10-13)24-17-15-3-1-2-4-16(15)25-18(26-17)19(21,22)23/h1-8,12-13,27H,9-10H2,(H,24,25,26)
InChIKeyRQOMOWXDMMIHGE-UHFFFAOYSA-N
XLogP3.71
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclobutyl]benzenesulfonamide with MolForge

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Related Compounds

3-N-cyclohexyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]cyclobutane-1,3-diamine
CID 138042973
4-fluoro-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide
CID 163267198
N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 32677860
N-propan-2-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide
CID 146082671
N-pyridin-3-yl-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide
CID 146082674
[2-(trifluoromethyl)quinazolin-4-yl]hydrazine
CID 1475464
N-(1-methoxypropan-2-yl)-4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzenesulfonamide
CID 146082664
N-(2-methylphenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 70704050
N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003222
4-cyano-N-[4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclohexyl]benzamide
CID 163267105
2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]phenol
CID 21003212
N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-(trifluoromethyl)quinazolin-4-amine
CID 95609013

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclobutyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclobutyl]benzenesulfonamide (CID 138042938) is 4-fluoro-N-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclobutyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclobutyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclobutyl]benzenesulfonamide is O=S(=O)(NC1CC(Nc2nc(C(F)(F)F)nc3ccccc23)C1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclobutyl]benzenesulfonamide?
The InChIKey is RQOMOWXDMMIHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O2S/c20-11-5-7-14(8-6-11)30(28,29)27-13-9-12(10-13)24-17-15-3-1-2-4-16(15)25-18(26-17)19(21,22)23/h1-8,12-13,27H,9-10H2,(H,24,25,26).
What are the key properties of 4-fluoro-N-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclobutyl]benzenesulfonamide?
4-fluoro-N-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclobutyl]benzenesulfonamide has a molecular weight of 440.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]cyclobutyl]benzenesulfonamide is sourced from PubChem (CID 138042938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).