N-[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)phenyl]methanesulfonamide

C16H15N3O3S — CID 142133755

IUPACN-[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)phenyl]methanesulfonamide
SMILESCc1ccc2nc(-c3ccccc3NS(C)(=O)=O)[nH]c(=O)c2c1
InChIInChI=1S/C16H15N3O3S/c1-10-7-8-13-12(9-10)16(20)18-15(17-13)11-5-3-4-6-14(11)19-23(2,21)22/h3-9,19H,1-2H3,(H,17,18,20)
InChIKeyKVRIPHDOODOEHI-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.27
Rot. Bonds3

About N-[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)phenyl]methanesulfonamide

N-[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)phenyl]methanesulfonamide (PubChem CID 142133755) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)phenyl]methanesulfonamide
PubChem CID142133755
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)phenyl]methanesulfonamide
SMILESCc1ccc2nc(-c3ccccc3NS(C)(=O)=O)[nH]c(=O)c2c1
InChIInChI=1S/C16H15N3O3S/c1-10-7-8-13-12(9-10)16(20)18-15(17-13)11-5-3-4-6-14(11)19-23(2,21)22/h3-9,19H,1-2H3,(H,17,18,20)
InChIKeyKVRIPHDOODOEHI-UHFFFAOYSA-N
XLogP2.27
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]methanesulfonamide
CID 6463853
5-hydroxy-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434247
[2-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-methylbenzenesulfonate
CID 168552318
N-[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]methanesulfonamide
CID 10314435
2-(2,4-dimethylphenyl)-6,7-difluoro-3H-quinazolin-4-one
CID 163404458
2-[6-(difluoromethoxy)-2-pyridinyl]-6-methyl-3H-quinazolin-4-one
CID 154850422
2-(chloromethyl)-6-methyl-3H-quinazolin-4-one
CID 135715019
2-(2-tert-butyl-1,3-oxazol-4-yl)-6-methyl-3H-quinazolin-4-one
CID 136560986
2-(2-fluoro-4-methylsulfonylphenyl)-3H-quinazolin-4-one
CID 168553310
2-phenyl-6-propan-2-yl-3H-quinazolin-4-one
CID 176911970
4-(6-methyl-1H-benzimidazol-2-yl)fluoren-9-one
CID 67359622
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)phenyl]methanesulfonamide (CID 142133755) is N-[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)phenyl]methanesulfonamide is Cc1ccc2nc(-c3ccccc3NS(C)(=O)=O)[nH]c(=O)c2c1.
What is the InChIKey of N-[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)phenyl]methanesulfonamide?
The InChIKey is KVRIPHDOODOEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10-7-8-13-12(9-10)16(20)18-15(17-13)11-5-3-4-6-14(11)19-23(2,21)22/h3-9,19H,1-2H3,(H,17,18,20).
What are the key properties of N-[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)phenyl]methanesulfonamide?
N-[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)phenyl]methanesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 142133755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).