N-[6-(2-chlorophenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide

C20H16ClFN4O3S — CID 69482627

IUPACN-[6-(2-chlorophenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide
SMILESO=C(NC1=NCC2=CN(S(=O)(=O)c3ccccc3Cl)CCC2=N1)c1cccc(F)c1
InChIInChI=1S/C20H16ClFN4O3S/c21-16-6-1-2-7-18(16)30(28,29)26-9-8-17-14(12-26)11-23-20(24-17)25-19(27)13-4-3-5-15(22)10-13/h1-7,10,12H,8-9,11H2,(H,23,25,27)
InChIKeyWWLLYGBVNBWOMX-UHFFFAOYSA-N
MW446.89 g/mol
LogP3.00
Rot. Bonds3

About N-[6-(2-chlorophenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide

N-[6-(2-chlorophenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide (PubChem CID 69482627) has the molecular formula C20H16ClFN4O3S and a molecular weight of 446.89 g/mol. Its IUPAC name is N-[6-(2-chlorophenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(2-chlorophenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide
PubChem CID69482627
Molecular FormulaC20H16ClFN4O3S
Molecular Weight446.89 g/mol
Exact Mass446.06
IUPAC NameN-[6-(2-chlorophenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide
SMILESO=C(NC1=NCC2=CN(S(=O)(=O)c3ccccc3Cl)CCC2=N1)c1cccc(F)c1
InChIInChI=1S/C20H16ClFN4O3S/c21-16-6-1-2-7-18(16)30(28,29)26-9-8-17-14(12-26)11-23-20(24-17)25-19(27)13-4-3-5-15(22)10-13/h1-7,10,12H,8-9,11H2,(H,23,25,27)
InChIKeyWWLLYGBVNBWOMX-UHFFFAOYSA-N
XLogP3.00
TPSA91.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-(2-chlorophenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]-4-methylbenzamide
CID 58138421
N-[1-(4-chlorophenyl)sulfonyl-5-fluoro-2-oxopyrimidin-4-yl]benzamide
CID 58138428
4-chloro-N-[1-(4-chlorobenzenesulfonyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl]benzamide
CID 66973638
4-fluoro-N-(6-propylsulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl)benzamide
CID 69480777
N-(6-benzylsulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl)-4-fluorobenzamide
CID 69480785
4-tert-butyl-N-[6-(2-fluorophenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
CID 69480805
2-fluoro-N-[6-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
CID 69480811
3-fluoro-N-[6-(4-methylphenyl)sulfonyl-7,8-dihydro-2H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
CID 69480947
3-fluoro-N-[6-(4-methylphenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
CID 69480949
3,5-dichloro-N-[6-[2-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-2H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
CID 69482616
3,5-dichloro-N-[6-[2-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
CID 69482618
N-[6-(2-chlorophenyl)sulfonyl-7,8-dihydro-2H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide
CID 69482625

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chlorophenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide?
The IUPAC name of N-[6-(2-chlorophenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide (CID 69482627) is N-[6-(2-chlorophenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[6-(2-chlorophenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide?
The canonical SMILES for N-[6-(2-chlorophenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide is O=C(NC1=NCC2=CN(S(=O)(=O)c3ccccc3Cl)CCC2=N1)c1cccc(F)c1.
What is the InChIKey of N-[6-(2-chlorophenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide?
The InChIKey is WWLLYGBVNBWOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O3S/c21-16-6-1-2-7-18(16)30(28,29)26-9-8-17-14(12-26)11-23-20(24-17)25-19(27)13-4-3-5-15(22)10-13/h1-7,10,12H,8-9,11H2,(H,23,25,27).
What are the key properties of N-[6-(2-chlorophenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide?
N-[6-(2-chlorophenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide has a molecular weight of 446.89 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chlorophenyl)sulfonyl-7,8-dihydro-4H-pyrido[4,3-d]pyrimidin-2-yl]-3-fluorobenzamide is sourced from PubChem (CID 69482627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).