7-chloro-1-(furan-2-ylmethyl)-4-oxoquinazoline-6-sulfonamide

C13H10ClN3O4S — CID 56691115

IUPAC7-chloro-1-(furan-2-ylmethyl)-4-oxoquinazoline-6-sulfonamide
SMILESNS(=O)(=O)c1cc2c(=O)ncn(Cc3ccco3)c2cc1Cl
InChIInChI=1S/C13H10ClN3O4S/c14-10-5-11-9(4-12(10)22(15,19)20)13(18)16-7-17(11)6-8-2-1-3-21-8/h1-5,7H,6H2,(H2,15,19,20)
InChIKeyQMZFPXHXTIALGN-UHFFFAOYSA-N
MW339.76 g/mol
LogP1.34
Rot. Bonds3

About 7-chloro-1-(furan-2-ylmethyl)-4-oxoquinazoline-6-sulfonamide

7-chloro-1-(furan-2-ylmethyl)-4-oxoquinazoline-6-sulfonamide (PubChem CID 56691115) has the molecular formula C13H10ClN3O4S and a molecular weight of 339.76 g/mol. Its IUPAC name is 7-chloro-1-(furan-2-ylmethyl)-4-oxoquinazoline-6-sulfonamide.

Molecular Properties

Compound Name7-chloro-1-(furan-2-ylmethyl)-4-oxoquinazoline-6-sulfonamide
PubChem CID56691115
Molecular FormulaC13H10ClN3O4S
Molecular Weight339.76 g/mol
Exact Mass339.01
IUPAC Name7-chloro-1-(furan-2-ylmethyl)-4-oxoquinazoline-6-sulfonamide
SMILESNS(=O)(=O)c1cc2c(=O)ncn(Cc3ccco3)c2cc1Cl
InChIInChI=1S/C13H10ClN3O4S/c14-10-5-11-9(4-12(10)22(15,19)20)13(18)16-7-17(11)6-8-2-1-3-21-8/h1-5,7H,6H2,(H2,15,19,20)
InChIKeyQMZFPXHXTIALGN-UHFFFAOYSA-N
XLogP1.34
TPSA108.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(furan-2-ylmethyl)-4-oxoquinazoline-6-sulfonamide?
The IUPAC name of 7-chloro-1-(furan-2-ylmethyl)-4-oxoquinazoline-6-sulfonamide (CID 56691115) is 7-chloro-1-(furan-2-ylmethyl)-4-oxoquinazoline-6-sulfonamide.
What is the SMILES notation for 7-chloro-1-(furan-2-ylmethyl)-4-oxoquinazoline-6-sulfonamide?
The canonical SMILES for 7-chloro-1-(furan-2-ylmethyl)-4-oxoquinazoline-6-sulfonamide is NS(=O)(=O)c1cc2c(=O)ncn(Cc3ccco3)c2cc1Cl.
What is the InChIKey of 7-chloro-1-(furan-2-ylmethyl)-4-oxoquinazoline-6-sulfonamide?
The InChIKey is QMZFPXHXTIALGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O4S/c14-10-5-11-9(4-12(10)22(15,19)20)13(18)16-7-17(11)6-8-2-1-3-21-8/h1-5,7H,6H2,(H2,15,19,20).
What are the key properties of 7-chloro-1-(furan-2-ylmethyl)-4-oxoquinazoline-6-sulfonamide?
7-chloro-1-(furan-2-ylmethyl)-4-oxoquinazoline-6-sulfonamide has a molecular weight of 339.76 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(furan-2-ylmethyl)-4-oxoquinazoline-6-sulfonamide is sourced from PubChem (CID 56691115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).