N-(2-methyl-4-oxoquinazolin-3-yl)methanesulfonamide

C10H11N3O3S — CID 1257433

IUPACN-(2-methyl-4-oxoquinazolin-3-yl)methanesulfonamide
SMILESCc1nc2ccccc2c(=O)n1NS(C)(=O)=O
InChIInChI=1S/C10H11N3O3S/c1-7-11-9-6-4-3-5-8(9)10(14)13(7)12-17(2,15)16/h3-6,12H,1-2H3
InChIKeyHHRYLAJXDNMLIG-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.21
Rot. Bonds2

About N-(2-methyl-4-oxoquinazolin-3-yl)methanesulfonamide

N-(2-methyl-4-oxoquinazolin-3-yl)methanesulfonamide (PubChem CID 1257433) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is N-(2-methyl-4-oxoquinazolin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxoquinazolin-3-yl)methanesulfonamide
PubChem CID1257433
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC NameN-(2-methyl-4-oxoquinazolin-3-yl)methanesulfonamide
SMILESCc1nc2ccccc2c(=O)n1NS(C)(=O)=O
InChIInChI=1S/C10H11N3O3S/c1-7-11-9-6-4-3-5-8(9)10(14)13(7)12-17(2,15)16/h3-6,12H,1-2H3
InChIKeyHHRYLAJXDNMLIG-UHFFFAOYSA-N
XLogP0.21
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-4-oxoquinazolin-3-yl)benzenesulfonamide
CID 11290013
N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 807598
2-[(2-methyl-4-oxoquinazolin-3-yl)amino]benzoic acid
CID 849797
2-methyl-3-pyrrol-1-ylquinazolin-4-one
CID 15619789
2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one
CID 30370658
2-amino-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 4778135
N-(2-methyl-4-oxoquinazolin-3-yl)hexanamide
CID 5090042
N-[2,2,2-trichloro-1-[(2-methyl-4-oxoquinazolin-3-yl)amino]ethyl]acetamide
CID 56687818
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]methanesulfonamide
CID 30600489
2-methyl-4-methylsulfonylquinoline
CID 4189252
2-methyl-3-(4-oxo-2-phenylquinazolin-3-yl)quinazolin-4-one
CID 11245968
N-(2-methyl-4-oxoquinazolin-3-yl)-3-phenoxybenzamide
CID 2545082

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxoquinazolin-3-yl)methanesulfonamide?
The IUPAC name of N-(2-methyl-4-oxoquinazolin-3-yl)methanesulfonamide (CID 1257433) is N-(2-methyl-4-oxoquinazolin-3-yl)methanesulfonamide.
What is the SMILES notation for N-(2-methyl-4-oxoquinazolin-3-yl)methanesulfonamide?
The canonical SMILES for N-(2-methyl-4-oxoquinazolin-3-yl)methanesulfonamide is Cc1nc2ccccc2c(=O)n1NS(C)(=O)=O.
What is the InChIKey of N-(2-methyl-4-oxoquinazolin-3-yl)methanesulfonamide?
The InChIKey is HHRYLAJXDNMLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-7-11-9-6-4-3-5-8(9)10(14)13(7)12-17(2,15)16/h3-6,12H,1-2H3.
What are the key properties of N-(2-methyl-4-oxoquinazolin-3-yl)methanesulfonamide?
N-(2-methyl-4-oxoquinazolin-3-yl)methanesulfonamide has a molecular weight of 253.28 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxoquinazolin-3-yl)methanesulfonamide is sourced from PubChem (CID 1257433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).