1-(benzenesulfonyl)-5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine

C72H59Cl6N13O6S3 — CID 161426636

About 1-(benzenesulfonyl)-5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine

1-(benzenesulfonyl)-5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine (PubChem CID 161426636) has the molecular formula C72H59Cl6N13O6S3 and a molecular weight of 1511.27 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine
• PubChem CID: 161426636
• Molecular Formula: C72H59Cl6N13O6S3
• Molecular Weight: 1511.27 g/mol
• Exact Mass: 1507.20
• IUPAC Name: 1-(benzenesulfonyl)-5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine
• SMILES: CS(=O)(=O)c1ncc(Cc2cn(S(=O)(=O)c3ccccc3)c3ncc(Cl)cc23)cn1.Clc1ccc(CCc2ncc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cc1.NCc1ccc(Cl)cc1.O=S(=O)(c1ccccc1)n1cc(Cc2cnc(CCc3ccc(Cl)cc3)nc2)c2cc(Cl)cnc21
• InChI: InChI=1S/C26H20Cl2N4O2S.C20H16Cl2N4.C19H15ClN4O4S2.C7H8ClN/c27-21-9-6-18(7-10-21)8-11-25-29-14-19(15-30-25)12-20-17-32(26-24(20)13-22(28)16-31-26)35(33,34)23-4-2-1-3-5-23;21-16-4-1-13(2-5-16)3-6-19-23-9-14(10-24-19)7-15-11-25-20-18(15)8-17(22)12-26-20;1-29(25,26)19-22-9-13(10-23-19)7-14-12-24(18-17(14)8-15(20)11-21-18)30(27,28)16-5-3-2-4-6-16;8-7-3-1-6(5-9)2-4-7/h1-7,9-10,13-17H,8,11-12H2;1-2,4-5,8-12H,3,6-7H2,(H,25,26);2-6,8-12H,7H2,1H3;1-4H,5,9H2
• InChIKey: VXLDPHJDIJNOMV-UHFFFAOYSA-N
• XLogP: 15.29
• TPSA: 270.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1511.27
LogP ≤ 5	15.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine?

The IUPAC name of 1-(benzenesulfonyl)-5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine (CID 161426636) is 1-(benzenesulfonyl)-5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine.

What is the SMILES notation for 1-(benzenesulfonyl)-5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine?

The canonical SMILES for 1-(benzenesulfonyl)-5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine is CS(=O)(=O)c1ncc(Cc2cn(S(=O)(=O)c3ccccc3)c3ncc(Cl)cc23)cn1.Clc1ccc(CCc2ncc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cc1.NCc1ccc(Cl)cc1.O=S(=O)(c1ccccc1)n1cc(Cc2cnc(CCc3ccc(Cl)cc3)nc2)c2cc(Cl)cnc21.

What is the InChIKey of 1-(benzenesulfonyl)-5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine?

The InChIKey is VXLDPHJDIJNOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N4O2S.C20H16Cl2N4.C19H15ClN4O4S2.C7H8ClN/c27-21-9-6-18(7-10-21)8-11-25-29-14-19(15-30-25)12-20-17-32(26-24(20)13-22(28)16-31-26)35(33,34)23-4-2-1-3-5-23;21-16-4-1-13(2-5-16)3-6-19-23-9-14(10-24-19)7-15-11-25-20-18(15)8-17(22)12-26-20;1-29(25,26)19-22-9-13(10-23-19)7-14-12-24(18-17(14)8-15(20)11-21-18)30(27,28)16-5-3-2-4-6-16;8-7-3-1-6(5-9)2-4-7/h1-7,9-10,13-17H,8,11-12H2;1-2,4-5,8-12H,3,6-7H2,(H,25,26);2-6,8-12H,7H2,1H3;1-4H,5,9H2.

What are the key properties of 1-(benzenesulfonyl)-5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine?

1-(benzenesulfonyl)-5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine has a molecular weight of 1511.27 g/mol, XLogP of 15.29, 18 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-chloro-3-[(2-methylsulfonylpyrimidin-5-yl)methyl]pyrrolo[2,3-b]pyridine;5-chloro-3-[[2-[2-(4-chlorophenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine;(4-chlorophenyl)methanamine is sourced from PubChem (CID 161426636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).