N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide

C20H13ClF3N5O3S — CID 11569537

IUPACN-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide
SMILESNc1ncnc2c1c(=O)ccn2-c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C20H13ClF3N5O3S/c21-14-6-1-11(20(22,23)24)9-16(14)33(31,32)28-12-2-4-13(5-3-12)29-8-7-15(30)17-18(25)26-10-27-19(17)29/h1-10,28H,(H2,25,26,27)
InChIKeyZCFCBZDIEYZWLN-UHFFFAOYSA-N
MW495.87 g/mol
LogP3.84
Rot. Bonds4

About N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide

N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 11569537) has the molecular formula C20H13ClF3N5O3S and a molecular weight of 495.87 g/mol. Its IUPAC name is N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide
PubChem CID11569537
Molecular FormulaC20H13ClF3N5O3S
Molecular Weight495.87 g/mol
Exact Mass495.04
IUPAC NameN-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide
SMILESNc1ncnc2c1c(=O)ccn2-c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1
InChIInChI=1S/C20H13ClF3N5O3S/c21-14-6-1-11(20(22,23)24)9-16(14)33(31,32)28-12-2-4-13(5-3-12)29-8-7-15(30)17-18(25)26-10-27-19(17)29/h1-10,28H,(H2,25,26,27)
InChIKeyZCFCBZDIEYZWLN-UHFFFAOYSA-N
XLogP3.84
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.87
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide (CID 11569537) is N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide is Nc1ncnc2c1c(=O)ccn2-c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1.
What is the InChIKey of N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZCFCBZDIEYZWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N5O3S/c21-14-6-1-11(20(22,23)24)9-16(14)33(31,32)28-12-2-4-13(5-3-12)29-8-7-15(30)17-18(25)26-10-27-19(17)29/h1-10,28H,(H2,25,26,27).
What are the key properties of N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide?
N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 495.87 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-2-chloro-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 11569537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).