2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzenesulfonamide

C96H87Cl4N19O16S8 — CID 158207413

About 2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzenesulfonamide

2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzenesulfonamide (PubChem CID 158207413) has the molecular formula C96H87Cl4N19O16S8 and a molecular weight of 2161.22 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzenesulfonamide
• PubChem CID: 158207413
• Molecular Formula: C96H87Cl4N19O16S8
• Molecular Weight: 2161.22 g/mol
• Exact Mass: 2157.31
• IUPAC Name: 2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzenesulfonamide
• SMILES: Cc1ccc(NS(=O)(=O)c2ccc(N3CCCNS3(=O)=O)cc2)cc1-c1ncc2ccccc2n1.Cc1ccc(NS(=O)(=O)c2ccc(N3CCCNS3(=O)=O)cc2Cl)cc1-c1ccc2cnccc2n1.Cc1ccc(NS(=O)(=O)c2ccc(N3CCCNS3(=O)=O)cc2Cl)cc1-c1nccc2ccccc12.O=S(=O)(Nc1ccc(Cl)c(-c2ncc3ccccc3n2)c1)c1ccc(N2CCCNS2(=O)=O)cc1Cl
• InChI: InChI=1S/C25H23ClN4O4S2.C24H22ClN5O4S2.C24H23N5O4S2.C23H19Cl2N5O4S2/c1-17-7-8-19(15-22(17)25-21-6-3-2-5-18(21)11-13-27-25)29-35(31,32)24-10-9-20(16-23(24)26)30-14-4-12-28-36(30,33)34;1-16-3-5-18(13-20(16)23-7-4-17-15-26-11-9-22(17)28-23)29-35(31,32)24-8-6-19(14-21(24)25)30-12-2-10-27-36(30,33)34;1-17-7-8-19(15-22(17)24-25-16-18-5-2-3-6-23(18)27-24)28-34(30,31)21-11-9-20(10-12-21)29-14-4-13-26-35(29,32)33;24-19-8-6-16(12-18(19)23-26-14-15-4-1-2-5-21(15)28-23)29-35(31,32)22-9-7-17(13-20(22)25)30-11-3-10-27-36(30,33)34/h2-3,5-11,13,15-16,28-29H,4,12,14H2,1H3;3-9,11,13-15,27,29H,2,10,12H2,1H3;2-3,5-12,15-16,26,28H,4,13-14H2,1H3;1-2,4-9,12-14,27,29H,3,10-11H2
• InChIKey: GBQWELNWMGPWCO-UHFFFAOYSA-N
• XLogP: 16.71
• TPSA: 472.55 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2161.22
LogP ≤ 5	16.71
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzenesulfonamide?

The IUPAC name of 2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzenesulfonamide (CID 158207413) is 2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzenesulfonamide.

What is the SMILES notation for 2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzenesulfonamide?

The canonical SMILES for 2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(N3CCCNS3(=O)=O)cc2)cc1-c1ncc2ccccc2n1.Cc1ccc(NS(=O)(=O)c2ccc(N3CCCNS3(=O)=O)cc2Cl)cc1-c1ccc2cnccc2n1.Cc1ccc(NS(=O)(=O)c2ccc(N3CCCNS3(=O)=O)cc2Cl)cc1-c1nccc2ccccc12.O=S(=O)(Nc1ccc(Cl)c(-c2ncc3ccccc3n2)c1)c1ccc(N2CCCNS2(=O)=O)cc1Cl.

What is the InChIKey of 2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzenesulfonamide?

The InChIKey is GBQWELNWMGPWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O4S2.C24H22ClN5O4S2.C24H23N5O4S2.C23H19Cl2N5O4S2/c1-17-7-8-19(15-22(17)25-21-6-3-2-5-18(21)11-13-27-25)29-35(31,32)24-10-9-20(16-23(24)26)30-14-4-12-28-36(30,33)34;1-16-3-5-18(13-20(16)23-7-4-17-15-26-11-9-22(17)28-23)29-35(31,32)24-8-6-19(14-21(24)25)30-12-2-10-27-36(30,33)34;1-17-7-8-19(15-22(17)24-25-16-18-5-2-3-6-23(18)27-24)28-34(30,31)21-11-9-20(10-12-21)29-14-4-13-26-35(29,32)33;24-19-8-6-16(12-18(19)23-26-14-15-4-1-2-5-21(15)28-23)29-35(31,32)22-9-7-17(13-20(22)25)30-11-3-10-27-36(30,33)34/h2-3,5-11,13,15-16,28-29H,4,12,14H2,1H3;3-9,11,13-15,27,29H,2,10,12H2,1H3;2-3,5-12,15-16,26,28H,4,13-14H2,1H3;1-2,4-9,12-14,27,29H,3,10-11H2.

What are the key properties of 2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzenesulfonamide?

2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzenesulfonamide has a molecular weight of 2161.22 g/mol, XLogP of 16.71, 20 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;2-chloro-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 158207413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).