2,3-dichloro-N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]benzenesulfonamide

C22H17Cl2N3O4S — CID 30867596

IUPAC2,3-dichloro-N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]benzenesulfonamide
SMILESCOc1ccc(-n2c(C)nc3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3c2=O)cc1
InChIInChI=1S/C22H17Cl2N3O4S/c1-13-25-19-11-6-14(26-32(29,30)20-5-3-4-18(23)21(20)24)12-17(19)22(28)27(13)15-7-9-16(31-2)10-8-15/h3-12,26H,1-2H3
InChIKeyFPFZIOUZFDHOTB-UHFFFAOYSA-N
MW490.37 g/mol
LogP4.81
Rot. Bonds5

About 2,3-dichloro-N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]benzenesulfonamide

2,3-dichloro-N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]benzenesulfonamide (PubChem CID 30867596) has the molecular formula C22H17Cl2N3O4S and a molecular weight of 490.37 g/mol. Its IUPAC name is 2,3-dichloro-N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]benzenesulfonamide
PubChem CID30867596
Molecular FormulaC22H17Cl2N3O4S
Molecular Weight490.37 g/mol
Exact Mass489.03
IUPAC Name2,3-dichloro-N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]benzenesulfonamide
SMILESCOc1ccc(-n2c(C)nc3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3c2=O)cc1
InChIInChI=1S/C22H17Cl2N3O4S/c1-13-25-19-11-6-14(26-32(29,30)20-5-3-4-18(23)21(20)24)12-17(19)22(28)27(13)15-7-9-16(31-2)10-8-15/h3-12,26H,1-2H3
InChIKeyFPFZIOUZFDHOTB-UHFFFAOYSA-N
XLogP4.81
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.37
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 18576721
N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide
CID 30368236
3-chloro-2-methyl-N-(2-methyl-1-phenylbenzimidazol-5-yl)benzenesulfonamide
CID 59018209
N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]quinoline-2-carboxamide
CID 30867464
3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one
CID 44725647
3-chloro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16803205
4-methoxy-2,5-dimethyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16822877
2-methoxy-5-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16822871
N-[2-methyl-4-oxo-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-6-yl]methanesulfonamide
CID 11547318
2,3-dichloro-N-(3-chloro-7-methoxyquinoxalin-2-yl)benzenesulfonamide
CID 86612114
3-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 7161308
2,5-difluoro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16799885

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]benzenesulfonamide (CID 30867596) is 2,3-dichloro-N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]benzenesulfonamide is COc1ccc(-n2c(C)nc3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3c2=O)cc1.
What is the InChIKey of 2,3-dichloro-N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]benzenesulfonamide?
The InChIKey is FPFZIOUZFDHOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N3O4S/c1-13-25-19-11-6-14(26-32(29,30)20-5-3-4-18(23)21(20)24)12-17(19)22(28)27(13)15-7-9-16(31-2)10-8-15/h3-12,26H,1-2H3.
What are the key properties of 2,3-dichloro-N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]benzenesulfonamide?
2,3-dichloro-N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]benzenesulfonamide has a molecular weight of 490.37 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]benzenesulfonamide is sourced from PubChem (CID 30867596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).