2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide

C16H17N3O4S — CID 71271629

IUPAC2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2
InChIInChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)
InChIKeyTXZPMHLMPKIUGK-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.47
Rot. Bonds4

About 2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide

2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide (PubChem CID 71271629) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide
PubChem CID71271629
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2
InChIInChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)
InChIKeyTXZPMHLMPKIUGK-UHFFFAOYSA-N
XLogP2.47
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,4-N-dimethyl-1-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzene-1,4-disulfonamide
CID 139007939
2-methoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 71291563
2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2538540
N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 71271610
N-[(3Z)-3-(cyclopentylmethylidene)-2-oxo-1H-indol-5-yl]-2-methoxybenzenesulfonamide
CID 162648327
5-ethyl-2-methoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 18570769
4-[[(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)amino]methyl]benzenesulfonamide
CID 154878339
2-fluoro-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 41342532
3,4-dimethoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 18570747
N-(4-cyanophenyl)-2-methoxybenzenesulfonamide
CID 47104401
N-(3-ethynylphenyl)-2-methoxybenzenesulfonamide
CID 47141612
N-(2-chloro-4-pyridinyl)-2-methoxybenzenesulfonamide
CID 75448368

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide (CID 71271629) is 2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CN(C)C(=O)N2.
What is the InChIKey of 2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide?
The InChIKey is TXZPMHLMPKIUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20).
What are the key properties of 2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide?
2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide has a molecular weight of 347.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 71271629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).