3-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide

C22H19N3O3S — CID 7161308

IUPAC3-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)c1
InChIInChI=1S/C22H19N3O3S/c1-15-6-5-7-19(14-15)29(27,28)24-17-10-12-18(13-11-17)25-16(2)23-21-9-4-3-8-20(21)22(25)26/h3-14,24H,1-2H3
InChIKeyAFYLRKSILRDNNO-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.80
Rot. Bonds4

About 3-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide

3-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide (PubChem CID 7161308) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 3-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
PubChem CID7161308
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name3-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)c1
InChIInChI=1S/C22H19N3O3S/c1-15-6-5-7-19(14-15)29(27,28)24-17-10-12-18(13-11-17)25-16(2)23-21-9-4-3-8-20(21)22(25)26/h3-14,24H,1-2H3
InChIKeyAFYLRKSILRDNNO-UHFFFAOYSA-N
XLogP3.80
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16803205
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-methylbenzenesulfonamide
CID 43995526
4-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 7553748
2,5-difluoro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16799885
3-chloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 41004157
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3-methylphenyl)acetamide
CID 7294959
2,4,5-trimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16803176
2-methoxy-5-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16822871
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-2-sulfonamide
CID 41077373
2,4-dimethyl-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16803175
N-(2-methyl-1-phenylbenzimidazol-5-yl)benzenesulfonamide
CID 2474403
N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-phenoxybenzenesulfonamide
CID 41004141

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide (CID 7161308) is 3-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is AFYLRKSILRDNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-15-6-5-7-19(14-15)29(27,28)24-17-10-12-18(13-11-17)25-16(2)23-21-9-4-3-8-20(21)22(25)26/h3-14,24H,1-2H3.
What are the key properties of 3-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
3-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 405.48 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7161308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).