2,5-dimethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide

C23H21N3O5S — CID 18576721

IUPAC2,5-dimethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)c1
InChIInChI=1S/C23H21N3O5S/c1-15-24-20-10-5-4-9-19(20)23(27)26(15)17-8-6-7-16(13-17)25-32(28,29)22-14-18(30-2)11-12-21(22)31-3/h4-14,25H,1-3H3
InChIKeyCMIPZFCCWZUAHQ-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.51
Rot. Bonds6

About 2,5-dimethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide

2,5-dimethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide (PubChem CID 18576721) has the molecular formula C23H21N3O5S and a molecular weight of 451.50 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
PubChem CID18576721
Molecular FormulaC23H21N3O5S
Molecular Weight451.50 g/mol
Exact Mass451.12
IUPAC Name2,5-dimethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)c1
InChIInChI=1S/C23H21N3O5S/c1-15-24-20-10-5-4-9-19(20)23(27)26(15)17-8-6-7-16(13-17)25-32(28,29)22-14-18(30-2)11-12-21(22)31-3/h4-14,25H,1-3H3
InChIKeyCMIPZFCCWZUAHQ-UHFFFAOYSA-N
XLogP3.51
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-5-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16822871
4-methoxy-2,5-dimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16822877
2,4,5-trimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16803176
4-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 7553748
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 16803208
2-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41004183
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]methanesulfonamide
CID 30600489
2,3-dichloro-N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]benzenesulfonamide
CID 30867596
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
2,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635928
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]thiophene-2-sulfonamide
CID 30600704
2,5-dimethoxy-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 108782173

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide (CID 18576721) is 2,5-dimethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2cccc(-n3c(C)nc4ccccc4c3=O)c2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is CMIPZFCCWZUAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S/c1-15-24-20-10-5-4-9-19(20)23(27)26(15)17-8-6-7-16(13-17)25-32(28,29)22-14-18(30-2)11-12-21(22)31-3/h4-14,25H,1-3H3.
What are the key properties of 2,5-dimethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
2,5-dimethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 451.50 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 18576721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).