3-chloro-N-[5-(3-chloro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide

C20H14Cl2N4O4S — CID 118616961

IUPAC3-chloro-N-[5-(3-chloro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(Cl)c(=O)n3c2)cc1NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H14Cl2N4O4S/c1-30-19-17(25-31(28,29)15-4-2-3-14(21)8-15)7-13(9-24-19)12-5-6-18-23-10-16(22)20(27)26(18)11-12/h2-11,25H,1H3
InChIKeyOTTCXPMWQUIKRN-UHFFFAOYSA-N
MW477.33 g/mol
LogP3.87
Rot. Bonds5

About 3-chloro-N-[5-(3-chloro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide

3-chloro-N-[5-(3-chloro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide (PubChem CID 118616961) has the molecular formula C20H14Cl2N4O4S and a molecular weight of 477.33 g/mol. Its IUPAC name is 3-chloro-N-[5-(3-chloro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[5-(3-chloro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
PubChem CID118616961
Molecular FormulaC20H14Cl2N4O4S
Molecular Weight477.33 g/mol
Exact Mass476.01
IUPAC Name3-chloro-N-[5-(3-chloro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3ncc(Cl)c(=O)n3c2)cc1NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H14Cl2N4O4S/c1-30-19-17(25-31(28,29)15-4-2-3-14(21)8-15)7-13(9-24-19)12-5-6-18-23-10-16(22)20(27)26(18)11-12/h2-11,25H,1H3
InChIKeyOTTCXPMWQUIKRN-UHFFFAOYSA-N
XLogP3.87
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-4-fluoro-N-[5-(3-fluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 118617169
2-chloro-N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 162193377
N-[2-methoxy-5-(3-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-3-pyridinyl]-2,5-dimethyl-1H-imidazole-4-sulfonamide
CID 158717524
N-[5-(3-chloro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-(3-methoxypropoxy)-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 118616762
2-chloro-4-fluoro-N-[5-[3-[2-(methanesulfonamido)ethoxy]-4-oxopyrido[1,2-a]pyrimidin-7-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 118612826
2-chloro-4-fluoro-N-[2-methoxy-5-[3-[2-(4-methylpiperazin-1-yl)ethoxy]-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
CID 118613133
2-chloro-4-fluoro-N-[2-methoxy-5-[3-(1-methylpyrrolidin-3-yl)oxy-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
CID 118613304
N-[5-[3-[2-(dimethylamino)ethoxy]-4-oxopyrido[1,2-a]pyrimidin-7-yl]-2-methoxy-3-pyridinyl]-3-methylthiophene-2-sulfonamide
CID 118613278
N-[2-methoxy-5-[3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]-3-methylthiophene-2-sulfonamide
CID 118617112
2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-oxopropyl)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
CID 157394533
2-bromo-4-fluoro-N-[2-methoxy-5-[3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
CID 118617035
2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 86718346

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(3-chloro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[5-(3-chloro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide (CID 118616961) is 3-chloro-N-[5-(3-chloro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[5-(3-chloro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[5-(3-chloro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3ncc(Cl)c(=O)n3c2)cc1NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[5-(3-chloro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
The InChIKey is OTTCXPMWQUIKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O4S/c1-30-19-17(25-31(28,29)15-4-2-3-14(21)8-15)7-13(9-24-19)12-5-6-18-23-10-16(22)20(27)26(18)11-12/h2-11,25H,1H3.
What are the key properties of 3-chloro-N-[5-(3-chloro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
3-chloro-N-[5-(3-chloro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide has a molecular weight of 477.33 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(3-chloro-4-oxopyrido[1,2-a]pyrimidin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 118616961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).