N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzenesulfonamide

C18H15N3O3S2 — CID 5210885

IUPACN-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzenesulfonamide
SMILESO=C1c2ccccc2NC(c2cccs2)N1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H15N3O3S2/c22-18-14-9-4-5-10-15(14)19-17(16-11-6-12-25-16)21(18)20-26(23,24)13-7-2-1-3-8-13/h1-12,17,19-20H
InChIKeyPVYZHEUTIULHJH-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.21
Rot. Bonds4

About N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzenesulfonamide

N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzenesulfonamide (PubChem CID 5210885) has the molecular formula C18H15N3O3S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzenesulfonamide
PubChem CID5210885
Molecular FormulaC18H15N3O3S2
Molecular Weight385.47 g/mol
Exact Mass385.06
IUPAC NameN-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzenesulfonamide
SMILESO=C1c2ccccc2NC(c2cccs2)N1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H15N3O3S2/c22-18-14-9-4-5-10-15(14)19-17(16-11-6-12-25-16)21(18)20-26(23,24)13-7-2-1-3-8-13/h1-12,17,19-20H
InChIKeyPVYZHEUTIULHJH-UHFFFAOYSA-N
XLogP3.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzenesulfonamide?
The IUPAC name of N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzenesulfonamide (CID 5210885) is N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzenesulfonamide?
The canonical SMILES for N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzenesulfonamide is O=C1c2ccccc2NC(c2cccs2)N1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzenesulfonamide?
The InChIKey is PVYZHEUTIULHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S2/c22-18-14-9-4-5-10-15(14)19-17(16-11-6-12-25-16)21(18)20-26(23,24)13-7-2-1-3-8-13/h1-12,17,19-20H.
What are the key properties of N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzenesulfonamide?
N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzenesulfonamide has a molecular weight of 385.47 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2-thiophen-2-yl-1,2-dihydroquinazolin-3-yl)benzenesulfonamide is sourced from PubChem (CID 5210885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).