benzenesulfonamide;bis(N-(benzenesulfonyl)-13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

C105H107N9O16S3 — CID 157423514

About benzenesulfonamide;bis(N-(benzenesulfonyl)-13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

benzenesulfonamide;bis(N-(benzenesulfonyl)-13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid (PubChem CID 157423514) has the molecular formula C105H107N9O16S3 and a molecular weight of 1847.26 g/mol. Its IUPAC name is benzenesulfonamide;bis(N-(benzenesulfonyl)-13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid.

Molecular Properties

• Compound Name: benzenesulfonamide;bis(N-(benzenesulfonyl)-13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
• PubChem CID: 157423514
• Molecular Formula: C105H107N9O16S3
• Molecular Weight: 1847.26 g/mol
• Exact Mass: 1845.70
• IUPAC Name: benzenesulfonamide;bis(N-(benzenesulfonyl)-13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
• SMILES: NS(=O)(=O)c1ccccc1.O=C(NS(=O)(=O)c1ccccc1)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=Cc1ccccc1-3.O=C(NS(=O)(=O)c1ccccc1)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=Cc1ccccc1-3.O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=Cc1ccccc1-3
• InChI: InChI=1S/2C35H35N3O5S.C29H30N2O4.C6H7NO2S/c2*39-34(36-44(41,42)28-12-5-2-6-13-28)26-15-16-30-31(22-26)38-23-27(35(40)37-17-19-43-20-18-37)21-25-11-7-8-14-29(25)33(38)32(30)24-9-3-1-4-10-24;32-28(30-12-14-35-15-13-30)22-16-20-8-4-5-9-23(20)27-26(19-6-2-1-3-7-19)24-11-10-21(29(33)34)17-25(24)31(27)18-22;7-10(8,9)6-4-2-1-3-5-6/h2*2,5-8,11-16,21-22,24H,1,3-4,9-10,17-20,23H2,(H,36,39);4-5,8-11,16-17,19H,1-3,6-7,12-15,18H2,(H,33,34);1-5H,(H2,7,8,9)
• InChIKey: BPRORULBPNHCIK-UHFFFAOYSA-N
• XLogP: 17.10
• TPSA: 327.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1847.26
LogP ≤ 5	17.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of benzenesulfonamide;bis(N-(benzenesulfonyl)-13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid?

The IUPAC name of benzenesulfonamide;bis(N-(benzenesulfonyl)-13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid (CID 157423514) is benzenesulfonamide;bis(N-(benzenesulfonyl)-13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid.

What is the SMILES notation for benzenesulfonamide;bis(N-(benzenesulfonyl)-13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid?

The canonical SMILES for benzenesulfonamide;bis(N-(benzenesulfonyl)-13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid is NS(=O)(=O)c1ccccc1.O=C(NS(=O)(=O)c1ccccc1)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=Cc1ccccc1-3.O=C(NS(=O)(=O)c1ccccc1)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=Cc1ccccc1-3.O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(C(=O)N1CCOCC1)=Cc1ccccc1-3.

What is the InChIKey of benzenesulfonamide;bis(N-(benzenesulfonyl)-13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid?

The InChIKey is BPRORULBPNHCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H35N3O5S.C29H30N2O4.C6H7NO2S/c2*39-34(36-44(41,42)28-12-5-2-6-13-28)26-15-16-30-31(22-26)38-23-27(35(40)37-17-19-43-20-18-37)21-25-11-7-8-14-29(25)33(38)32(30)24-9-3-1-4-10-24;32-28(30-12-14-35-15-13-30)22-16-20-8-4-5-9-23(20)27-26(19-6-2-1-3-7-19)24-11-10-21(29(33)34)17-25(24)31(27)18-22;7-10(8,9)6-4-2-1-3-5-6/h2*2,5-8,11-16,21-22,24H,1,3-4,9-10,17-20,23H2,(H,36,39);4-5,8-11,16-17,19H,1-3,6-7,12-15,18H2,(H,33,34);1-5H,(H2,7,8,9).

What are the key properties of benzenesulfonamide;bis(N-(benzenesulfonyl)-13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid?

benzenesulfonamide;bis(N-(benzenesulfonyl)-13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid has a molecular weight of 1847.26 g/mol, XLogP of 17.10, 14 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for benzenesulfonamide;bis(N-(benzenesulfonyl)-13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxamide);13-cyclohexyl-6-(morpholine-4-carbonyl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid is sourced from PubChem (CID 157423514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).