7-chloro-4-oxo-2-propan-2-yl-3H-quinazoline-6-sulfonamide

C11H12ClN3O3S — CID 137292748

IUPAC7-chloro-4-oxo-2-propan-2-yl-3H-quinazoline-6-sulfonamide
SMILESCC(C)c1nc2cc(Cl)c(S(N)(=O)=O)cc2c(=O)[nH]1
InChIInChI=1S/C11H12ClN3O3S/c1-5(2)10-14-8-4-7(12)9(19(13,17)18)3-6(8)11(16)15-10/h3-5H,1-2H3,(H2,13,17,18)(H,14,15,16)
InChIKeyVANHVKRZINCXJK-UHFFFAOYSA-N
MW301.76 g/mol
LogP1.35
Rot. Bonds2

About 7-chloro-4-oxo-2-propan-2-yl-3H-quinazoline-6-sulfonamide

7-chloro-4-oxo-2-propan-2-yl-3H-quinazoline-6-sulfonamide (PubChem CID 137292748) has the molecular formula C11H12ClN3O3S and a molecular weight of 301.76 g/mol. Its IUPAC name is 7-chloro-4-oxo-2-propan-2-yl-3H-quinazoline-6-sulfonamide.

Molecular Properties

Compound Name7-chloro-4-oxo-2-propan-2-yl-3H-quinazoline-6-sulfonamide
PubChem CID137292748
Molecular FormulaC11H12ClN3O3S
Molecular Weight301.76 g/mol
Exact Mass301.03
IUPAC Name7-chloro-4-oxo-2-propan-2-yl-3H-quinazoline-6-sulfonamide
SMILESCC(C)c1nc2cc(Cl)c(S(N)(=O)=O)cc2c(=O)[nH]1
InChIInChI=1S/C11H12ClN3O3S/c1-5(2)10-14-8-4-7(12)9(19(13,17)18)3-6(8)11(16)15-10/h3-5H,1-2H3,(H2,13,17,18)(H,14,15,16)
InChIKeyVANHVKRZINCXJK-UHFFFAOYSA-N
XLogP1.35
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-oxo-2-propan-2-yl-3H-quinazoline-6-sulfonamide?
The IUPAC name of 7-chloro-4-oxo-2-propan-2-yl-3H-quinazoline-6-sulfonamide (CID 137292748) is 7-chloro-4-oxo-2-propan-2-yl-3H-quinazoline-6-sulfonamide.
What is the SMILES notation for 7-chloro-4-oxo-2-propan-2-yl-3H-quinazoline-6-sulfonamide?
The canonical SMILES for 7-chloro-4-oxo-2-propan-2-yl-3H-quinazoline-6-sulfonamide is CC(C)c1nc2cc(Cl)c(S(N)(=O)=O)cc2c(=O)[nH]1.
What is the InChIKey of 7-chloro-4-oxo-2-propan-2-yl-3H-quinazoline-6-sulfonamide?
The InChIKey is VANHVKRZINCXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S/c1-5(2)10-14-8-4-7(12)9(19(13,17)18)3-6(8)11(16)15-10/h3-5H,1-2H3,(H2,13,17,18)(H,14,15,16).
What are the key properties of 7-chloro-4-oxo-2-propan-2-yl-3H-quinazoline-6-sulfonamide?
7-chloro-4-oxo-2-propan-2-yl-3H-quinazoline-6-sulfonamide has a molecular weight of 301.76 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-oxo-2-propan-2-yl-3H-quinazoline-6-sulfonamide is sourced from PubChem (CID 137292748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).