N-[1-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]piperidin-4-yl]propane-1-sulfonamide

C17H20F4N4O2S — CID 75460835

IUPACN-[1-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(c2nc(C(F)(F)F)nc3ccc(F)cc23)CC1
InChIInChI=1S/C17H20F4N4O2S/c1-2-9-28(26,27)24-12-5-7-25(8-6-12)15-13-10-11(18)3-4-14(13)22-16(23-15)17(19,20)21/h3-4,10,12,24H,2,5-9H2,1H3
InChIKeyCPSSWXQGIVBXFH-UHFFFAOYSA-N
MW420.43 g/mol
LogP3.09
Rot. Bonds5

About N-[1-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]piperidin-4-yl]propane-1-sulfonamide

N-[1-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]piperidin-4-yl]propane-1-sulfonamide (PubChem CID 75460835) has the molecular formula C17H20F4N4O2S and a molecular weight of 420.43 g/mol. Its IUPAC name is N-[1-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]piperidin-4-yl]propane-1-sulfonamide
PubChem CID75460835
Molecular FormulaC17H20F4N4O2S
Molecular Weight420.43 g/mol
Exact Mass420.12
IUPAC NameN-[1-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(c2nc(C(F)(F)F)nc3ccc(F)cc23)CC1
InChIInChI=1S/C17H20F4N4O2S/c1-2-9-28(26,27)24-12-5-7-25(8-6-12)15-13-10-11(18)3-4-14(13)22-16(23-15)17(19,20)21/h3-4,10,12,24H,2,5-9H2,1H3
InChIKeyCPSSWXQGIVBXFH-UHFFFAOYSA-N
XLogP3.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]piperidin-4-yl]propane-1-sulfonamide (CID 75460835) is N-[1-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(c2nc(C(F)(F)F)nc3ccc(F)cc23)CC1.
What is the InChIKey of N-[1-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is CPSSWXQGIVBXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F4N4O2S/c1-2-9-28(26,27)24-12-5-7-25(8-6-12)15-13-10-11(18)3-4-14(13)22-16(23-15)17(19,20)21/h3-4,10,12,24H,2,5-9H2,1H3.
What are the key properties of N-[1-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]piperidin-4-yl]propane-1-sulfonamide?
N-[1-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 420.43 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 75460835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).