N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)methanesulfonamide

C10H13N3O3S — CID 4088451

IUPACN-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)methanesulfonamide
SMILESCC1Nc2ccccc2C(=O)N1NS(C)(=O)=O
InChIInChI=1S/C10H13N3O3S/c1-7-11-9-6-4-3-5-8(9)10(14)13(7)12-17(2,15)16/h3-7,11-12H,1-2H3
InChIKeyVASSVHRKEHNKNH-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.36
Rot. Bonds2

About N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)methanesulfonamide

N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)methanesulfonamide (PubChem CID 4088451) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)methanesulfonamide
PubChem CID4088451
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC NameN-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)methanesulfonamide
SMILESCC1Nc2ccccc2C(=O)N1NS(C)(=O)=O
InChIInChI=1S/C10H13N3O3S/c1-7-11-9-6-4-3-5-8(9)10(14)13(7)12-17(2,15)16/h3-7,11-12H,1-2H3
InChIKeyVASSVHRKEHNKNH-UHFFFAOYSA-N
XLogP0.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)methanesulfonamide?
The IUPAC name of N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)methanesulfonamide (CID 4088451) is N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)methanesulfonamide.
What is the SMILES notation for N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)methanesulfonamide?
The canonical SMILES for N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)methanesulfonamide is CC1Nc2ccccc2C(=O)N1NS(C)(=O)=O.
What is the InChIKey of N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)methanesulfonamide?
The InChIKey is VASSVHRKEHNKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-7-11-9-6-4-3-5-8(9)10(14)13(7)12-17(2,15)16/h3-7,11-12H,1-2H3.
What are the key properties of N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)methanesulfonamide?
N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)methanesulfonamide has a molecular weight of 255.30 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxo-1,2-dihydroquinazolin-3-yl)methanesulfonamide is sourced from PubChem (CID 4088451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).