N-[1-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide

C18H18FN3O3S — CID 17425009

IUPACN-[1-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide
SMILESCC(NS(=O)(=O)CCn1cnc2ccccc2c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O3S/c1-13(14-6-8-15(19)9-7-14)21-26(24,25)11-10-22-12-20-17-5-3-2-4-16(17)18(22)23/h2-9,12-13,21H,10-11H2,1H3
InChIKeyPTNOMSWNUMRLKA-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.22
Rot. Bonds6

About N-[1-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide

N-[1-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide (PubChem CID 17425009) has the molecular formula C18H18FN3O3S and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide
PubChem CID17425009
Molecular FormulaC18H18FN3O3S
Molecular Weight375.43 g/mol
Exact Mass375.11
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide
SMILESCC(NS(=O)(=O)CCn1cnc2ccccc2c1=O)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O3S/c1-13(14-6-8-15(19)9-7-14)21-26(24,25)11-10-22-12-20-17-5-3-2-4-16(17)18(22)23/h2-9,12-13,21H,10-11H2,1H3
InChIKeyPTNOMSWNUMRLKA-UHFFFAOYSA-N
XLogP2.22
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide (CID 17425009) is N-[1-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide is CC(NS(=O)(=O)CCn1cnc2ccccc2c1=O)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide?
The InChIKey is PTNOMSWNUMRLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3S/c1-13(14-6-8-15(19)9-7-14)21-26(24,25)11-10-22-12-20-17-5-3-2-4-16(17)18(22)23/h2-9,12-13,21H,10-11H2,1H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide?
N-[1-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide has a molecular weight of 375.43 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide is sourced from PubChem (CID 17425009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).