4-[2-(2-ethylsulfanyl-4-oxoquinazolin-3-yl)ethyl]benzenesulfonamide

C18H19N3O3S2 — CID 7869193

IUPAC4-[2-(2-ethylsulfanyl-4-oxoquinazolin-3-yl)ethyl]benzenesulfonamide
SMILESCCSc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H19N3O3S2/c1-2-25-18-20-16-6-4-3-5-15(16)17(22)21(18)12-11-13-7-9-14(10-8-13)26(19,23)24/h3-10H,2,11-12H2,1H3,(H2,19,23,24)
InChIKeyFONDQFJKIULAHB-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.40
Rot. Bonds6

About 4-[2-(2-ethylsulfanyl-4-oxoquinazolin-3-yl)ethyl]benzenesulfonamide

4-[2-(2-ethylsulfanyl-4-oxoquinazolin-3-yl)ethyl]benzenesulfonamide (PubChem CID 7869193) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[2-(2-ethylsulfanyl-4-oxoquinazolin-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2-ethylsulfanyl-4-oxoquinazolin-3-yl)ethyl]benzenesulfonamide
PubChem CID7869193
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC Name4-[2-(2-ethylsulfanyl-4-oxoquinazolin-3-yl)ethyl]benzenesulfonamide
SMILESCCSc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H19N3O3S2/c1-2-25-18-20-16-6-4-3-5-15(16)17(22)21(18)12-11-13-7-9-14(10-8-13)26(19,23)24/h3-10H,2,11-12H2,1H3,(H2,19,23,24)
InChIKeyFONDQFJKIULAHB-UHFFFAOYSA-N
XLogP2.40
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethylsulfanyl-4-oxoquinazolin-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(2-ethylsulfanyl-4-oxoquinazolin-3-yl)ethyl]benzenesulfonamide (CID 7869193) is 4-[2-(2-ethylsulfanyl-4-oxoquinazolin-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(2-ethylsulfanyl-4-oxoquinazolin-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(2-ethylsulfanyl-4-oxoquinazolin-3-yl)ethyl]benzenesulfonamide is CCSc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-(2-ethylsulfanyl-4-oxoquinazolin-3-yl)ethyl]benzenesulfonamide?
The InChIKey is FONDQFJKIULAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-2-25-18-20-16-6-4-3-5-15(16)17(22)21(18)12-11-13-7-9-14(10-8-13)26(19,23)24/h3-10H,2,11-12H2,1H3,(H2,19,23,24).
What are the key properties of 4-[2-(2-ethylsulfanyl-4-oxoquinazolin-3-yl)ethyl]benzenesulfonamide?
4-[2-(2-ethylsulfanyl-4-oxoquinazolin-3-yl)ethyl]benzenesulfonamide has a molecular weight of 389.50 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethylsulfanyl-4-oxoquinazolin-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 7869193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).