2-phenyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]ethenesulfonamide

C19H20F3N3O2S — CID 71960518

IUPAC2-phenyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]ethenesulfonamide
SMILESO=S(=O)(C=Cc1ccccc1)NCCc1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C19H20F3N3O2S/c20-19(21,22)18-15-8-4-5-9-16(15)24-17(25-18)10-12-23-28(26,27)13-11-14-6-2-1-3-7-14/h1-3,6-7,11,13,23H,4-5,8-10,12H2
InChIKeyIBZSORZLAPYPIJ-UHFFFAOYSA-N
MW411.45 g/mol
LogP3.51
Rot. Bonds6

About 2-phenyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]ethenesulfonamide

2-phenyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]ethenesulfonamide (PubChem CID 71960518) has the molecular formula C19H20F3N3O2S and a molecular weight of 411.45 g/mol. Its IUPAC name is 2-phenyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]ethenesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]ethenesulfonamide
PubChem CID71960518
Molecular FormulaC19H20F3N3O2S
Molecular Weight411.45 g/mol
Exact Mass411.12
IUPAC Name2-phenyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]ethenesulfonamide
SMILESO=S(=O)(C=Cc1ccccc1)NCCc1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C19H20F3N3O2S/c20-19(21,22)18-15-8-4-5-9-16(15)24-17(25-18)10-12-23-28(26,27)13-11-14-6-2-1-3-7-14/h1-3,6-7,11,13,23H,4-5,8-10,12H2
InChIKeyIBZSORZLAPYPIJ-UHFFFAOYSA-N
XLogP3.51
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]ethenesulfonamide?
The IUPAC name of 2-phenyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]ethenesulfonamide (CID 71960518) is 2-phenyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]ethenesulfonamide.
What is the SMILES notation for 2-phenyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]ethenesulfonamide?
The canonical SMILES for 2-phenyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]ethenesulfonamide is O=S(=O)(C=Cc1ccccc1)NCCc1nc2c(c(C(F)(F)F)n1)CCCC2.
What is the InChIKey of 2-phenyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]ethenesulfonamide?
The InChIKey is IBZSORZLAPYPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2S/c20-19(21,22)18-15-8-4-5-9-16(15)24-17(25-18)10-12-23-28(26,27)13-11-14-6-2-1-3-7-14/h1-3,6-7,11,13,23H,4-5,8-10,12H2.
What are the key properties of 2-phenyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]ethenesulfonamide?
2-phenyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]ethenesulfonamide has a molecular weight of 411.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethyl]ethenesulfonamide is sourced from PubChem (CID 71960518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).