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

C101H93Cl2N15O15S7 — CID 160584053

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

2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide (PubChem CID 160584053) has the molecular formula C101H93Cl2N15O15S7 and a molecular weight of 2052.32 g/mol. Its IUPAC name is 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide
• PubChem CID: 160584053
• Molecular Formula: C101H93Cl2N15O15S7
• Molecular Weight: 2052.32 g/mol
• Exact Mass: 2049.44
• IUPAC Name: 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide
• SMILES: Cc1ccc(NS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1-c1ncc2ccccc2n1.Cc1ccc(NS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1-c1ccc2cnccc2n1.Cc1ccc(NS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1-c1nccc2ccccc12.O=C(Nc1cccc(-c2ncc3ccccc3n2)c1)c1ccc(N2CCCCS2(=O)=O)cc1
• InChI: InChI=1S/C26H24ClN3O4S2.C25H23ClN4O4S2.C25H24N4O4S2.C25H22N4O3S/c1-18-8-9-20(16-23(18)26-22-7-3-2-6-19(22)12-13-28-26)29-36(33,34)25-11-10-21(17-24(25)27)30-14-4-5-15-35(30,31)32;1-17-4-6-19(14-21(17)24-8-5-18-16-27-11-10-23(18)28-24)29-36(33,34)25-9-7-20(15-22(25)26)30-12-2-3-13-35(30,31)32;1-18-8-9-20(16-23(18)25-26-17-19-6-2-3-7-24(19)27-25)28-35(32,33)22-12-10-21(11-13-22)29-14-4-5-15-34(29,30)31;30-25(18-10-12-22(13-11-18)29-14-3-4-15-33(29,31)32)27-21-8-5-7-19(16-21)24-26-17-20-6-1-2-9-23(20)28-24/h2-3,6-13,16-17,29H,4-5,14-15H2,1H3;4-11,14-16,29H,2-3,12-13H2,1H3;2-3,6-13,16-17,28H,4-5,14-15H2,1H3;1-2,5-13,16-17H,3-4,14-15H2,(H,27,30)
• InChIKey: RCDQIVGPYBRSOW-UHFFFAOYSA-N
• XLogP: 19.40
• TPSA: 407.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2052.32
LogP ≤ 5	19.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide (CID 160584053) is 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide.

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

The canonical SMILES for 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide is Cc1ccc(NS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1-c1ncc2ccccc2n1.Cc1ccc(NS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1-c1ccc2cnccc2n1.Cc1ccc(NS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1-c1nccc2ccccc12.O=C(Nc1cccc(-c2ncc3ccccc3n2)c1)c1ccc(N2CCCCS2(=O)=O)cc1.

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

The InChIKey is RCDQIVGPYBRSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O4S2.C25H23ClN4O4S2.C25H24N4O4S2.C25H22N4O3S/c1-18-8-9-20(16-23(18)26-22-7-3-2-6-19(22)12-13-28-26)29-36(33,34)25-11-10-21(17-24(25)27)30-14-4-5-15-35(30,31)32;1-17-4-6-19(14-21(17)24-8-5-18-16-27-11-10-23(18)28-24)29-36(33,34)25-9-7-20(15-22(25)26)30-12-2-3-13-35(30,31)32;1-18-8-9-20(16-23(18)25-26-17-19-6-2-3-7-24(19)27-25)28-35(32,33)22-12-10-21(11-13-22)29-14-4-5-15-34(29,30)31;30-25(18-10-12-22(13-11-18)29-14-3-4-15-33(29,31)32)27-21-8-5-7-19(16-21)24-26-17-20-6-1-2-9-23(20)28-24/h2-3,6-13,16-17,29H,4-5,14-15H2,1H3;4-11,14-16,29H,2-3,12-13H2,1H3;2-3,6-13,16-17,28H,4-5,14-15H2,1H3;1-2,5-13,16-17H,3-4,14-15H2,(H,27,30).

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

2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide has a molecular weight of 2052.32 g/mol, XLogP of 19.40, 19 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;2-chloro-4-(1,1-dioxothiazinan-2-yl)-N-[4-methyl-3-(1,6-naphthyridin-2-yl)phenyl]benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinazolin-2-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinazolin-2-ylphenyl)benzamide is sourced from PubChem (CID 160584053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).