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

C96H83Cl6N17O16S8 — CID 157366843

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

2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzenesulfonamide (PubChem CID 157366843) has the molecular formula C96H83Cl6N17O16S8 and a molecular weight of 2200.08 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzenesulfonamide
• PubChem CID: 157366843
• Molecular Formula: C96H83Cl6N17O16S8
• Molecular Weight: 2200.08 g/mol
• Exact Mass: 2195.21
• IUPAC Name: 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzenesulfonamide
• SMILES: Cc1ccc(NS(=O)(=O)c2ccc(N3CCCNS3(=O)=O)cc2)cc1-c1ccc2ccccc2n1.O=S(=O)(Nc1ccc(Cl)c(-c2ccc3ccccc3n2)c1)c1ccc(N2CCCNS2(=O)=O)cc1Cl.O=S(=O)(Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1)c1ccc(N2CCCNS2(=O)=O)cc1Cl.O=S(=O)(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(N2CCCNS2(=O)=O)cc1Cl
• InChI: InChI=1S/C25H24N4O4S2.2C24H20Cl2N4O4S2.C23H19Cl2N5O4S2/c1-18-7-9-20(17-23(18)25-14-8-19-5-2-3-6-24(19)27-25)28-34(30,31)22-12-10-21(11-13-22)29-16-4-15-26-35(29,32)33;25-20-9-7-17(14-19(20)23-10-6-16-4-1-2-5-22(16)28-23)29-35(31,32)24-11-8-18(15-21(24)26)30-13-3-12-27-36(30,33)34;25-21-8-6-17(14-20(21)24-19-5-2-1-4-16(19)10-12-27-24)29-35(31,32)23-9-7-18(15-22(23)26)30-13-3-11-28-36(30,33)34;24-19-5-3-16(12-18(19)22-6-2-15-14-26-10-8-21(15)28-22)29-35(31,32)23-7-4-17(13-20(23)25)30-11-1-9-27-36(30,33)34/h2-3,5-14,17,26,28H,4,15-16H2,1H3;1-2,4-11,14-15,27,29H,3,12-13H2;1-2,4-10,12,14-15,28-29H,3,11,13H2;2-8,10,12-14,27,29H,1,9,11H2
• InChIKey: BJHCUEKAIBETGQ-UHFFFAOYSA-N
• XLogP: 18.61
• TPSA: 446.77 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2200.08
LogP ≤ 5	18.61
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

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

The IUPAC name of 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzenesulfonamide (CID 157366843) is 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzenesulfonamide.

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

The canonical SMILES for 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(N3CCCNS3(=O)=O)cc2)cc1-c1ccc2ccccc2n1.O=S(=O)(Nc1ccc(Cl)c(-c2ccc3ccccc3n2)c1)c1ccc(N2CCCNS2(=O)=O)cc1Cl.O=S(=O)(Nc1ccc(Cl)c(-c2ccc3cnccc3n2)c1)c1ccc(N2CCCNS2(=O)=O)cc1Cl.O=S(=O)(Nc1ccc(Cl)c(-c2nccc3ccccc23)c1)c1ccc(N2CCCNS2(=O)=O)cc1Cl.

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

The InChIKey is BJHCUEKAIBETGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S2.2C24H20Cl2N4O4S2.C23H19Cl2N5O4S2/c1-18-7-9-20(17-23(18)25-14-8-19-5-2-3-6-24(19)27-25)28-34(30,31)22-12-10-21(11-13-22)29-16-4-15-26-35(29,32)33;25-20-9-7-17(14-19(20)23-10-6-16-4-1-2-5-22(16)28-23)29-35(31,32)24-11-8-18(15-21(24)26)30-13-3-12-27-36(30,33)34;25-21-8-6-17(14-20(21)24-19-5-2-1-4-16(19)10-12-27-24)29-35(31,32)23-9-7-18(15-22(23)26)30-13-3-11-28-36(30,33)34;24-19-5-3-16(12-18(19)22-6-2-15-14-26-10-8-21(15)28-22)29-35(31,32)23-7-4-17(13-20(23)25)30-11-1-9-27-36(30,33)34/h2-3,5-14,17,26,28H,4,15-16H2,1H3;1-2,4-11,14-15,27,29H,3,12-13H2;1-2,4-10,12,14-15,28-29H,3,11,13H2;2-8,10,12-14,27,29H,1,9,11H2.

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

2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzenesulfonamide has a molecular weight of 2200.08 g/mol, XLogP of 18.61, 20 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzenesulfonamide;4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 157366843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).