4-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)benzenesulfonamide

C16H17N3O3S — CID 169372861

IUPAC4-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3c2CNC(=O)N3C)cc1
InChIInChI=1S/C16H17N3O3S/c1-11-6-8-12(9-7-11)23(21,22)18-14-4-3-5-15-13(14)10-17-16(20)19(15)2/h3-9,18H,10H2,1-2H3,(H,17,20)
InChIKeyFTNJEWVCTUNSRA-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.46
Rot. Bonds3

About 4-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)benzenesulfonamide

4-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)benzenesulfonamide (PubChem CID 169372861) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)benzenesulfonamide
PubChem CID169372861
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name4-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3c2CNC(=O)N3C)cc1
InChIInChI=1S/C16H17N3O3S/c1-11-6-8-12(9-7-11)23(21,22)18-14-4-3-5-15-13(14)10-17-16(20)19(15)2/h3-9,18H,10H2,1-2H3,(H,17,20)
InChIKeyFTNJEWVCTUNSRA-UHFFFAOYSA-N
XLogP2.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzenesulfonamide
CID 110713352
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169371936
N-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide
CID 132937124
N-[3-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169372003
4-methyl-N-(2-methylindazol-7-yl)benzenesulfonamide
CID 169370772
4-methyl-N-oxidobenzenesulfonamide
CID 141387140
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
CID 102274853
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-4-methylbenzenesulfonamide
CID 134838868
N-[2-(1,3-dioxolan-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370766

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)benzenesulfonamide (CID 169372861) is 4-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc3c2CNC(=O)N3C)cc1.
What is the InChIKey of 4-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)benzenesulfonamide?
The InChIKey is FTNJEWVCTUNSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11-6-8-12(9-7-11)23(21,22)18-14-4-3-5-15-13(14)10-17-16(20)19(15)2/h3-9,18H,10H2,1-2H3,(H,17,20).
What are the key properties of 4-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)benzenesulfonamide?
4-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)benzenesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)benzenesulfonamide is sourced from PubChem (CID 169372861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).