4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxoazepan-3-yl)benzenesulfonamide;4-(4-chlorophenoxy)-N-[(6R)-1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl]-N-(2-piperidin-1-ylethyl)benzenesulfonamide;N-[(6R)-1-hydroxy-3-(morpholin-4-ylmethyl)-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methylphenoxy)benzenesulfonamide;N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-5-(4-methylphenyl)thiophene-2-sulfonamide;N-(1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl)-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide

C111H129Cl2N13O23S7 — CID 159309841

About 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxoazepan-3-yl)benzenesulfonamide;4-(4-chlorophenoxy)-N-[(6R)-1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl]-N-(2-piperidin-1-ylethyl)benzenesulfonamide;N-[(6R)-1-hydroxy-3-(morpholin-4-ylmethyl)-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methylphenoxy)benzenesulfonamide;N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-5-(4-methylphenyl)thiophene-2-sulfonamide;N-(1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl)-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide

4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxoazepan-3-yl)benzenesulfonamide;4-(4-chlorophenoxy)-N-[(6R)-1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl]-N-(2-piperidin-1-ylethyl)benzenesulfonamide;N-[(6R)-1-hydroxy-3-(morpholin-4-ylmethyl)-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methylphenoxy)benzenesulfonamide;N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-5-(4-methylphenyl)thiophene-2-sulfonamide;N-(1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl)-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide (PubChem CID 159309841) has the molecular formula C111H129Cl2N13O23S7 and a molecular weight of 2308.70 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxoazepan-3-yl)benzenesulfonamide;4-(4-chlorophenoxy)-N-[(6R)-1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl]-N-(2-piperidin-1-ylethyl)benzenesulfonamide;N-[(6R)-1-hydroxy-3-(morpholin-4-ylmethyl)-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methylphenoxy)benzenesulfonamide;N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-5-(4-methylphenyl)thiophene-2-sulfonamide;N-(1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl)-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxoazepan-3-yl)benzenesulfonamide;4-(4-chlorophenoxy)-N-[(6R)-1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl]-N-(2-piperidin-1-ylethyl)benzenesulfonamide;N-[(6R)-1-hydroxy-3-(morpholin-4-ylmethyl)-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methylphenoxy)benzenesulfonamide;N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-5-(4-methylphenyl)thiophene-2-sulfonamide;N-(1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl)-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide
• PubChem CID: 159309841
• Molecular Formula: C111H129Cl2N13O23S7
• Molecular Weight: 2308.70 g/mol
• Exact Mass: 2305.67
• IUPAC Name: 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxoazepan-3-yl)benzenesulfonamide;4-(4-chlorophenoxy)-N-[(6R)-1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl]-N-(2-piperidin-1-ylethyl)benzenesulfonamide;N-[(6R)-1-hydroxy-3-(morpholin-4-ylmethyl)-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methylphenoxy)benzenesulfonamide;N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-5-(4-methylphenyl)thiophene-2-sulfonamide;N-(1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl)-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide
• SMILES: CN1CC=CC[C@@H](N(CCN2CCCCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O.Cc1ccc(-c2ccc(S(=O)(=O)N[C@@H]3CC=CCN(O)C3=O)s2)cc1.Cc1ccc(C#Cc2ccc(S(=O)(=O)N(CCN3CCOCC3)C3CC=CCN(C)C3=O)s2)cc1.Cc1ccc(Oc2ccc(S(=O)(=O)N[C@@H]3CC=C(CN4CCOCC4)CN(O)C3=O)cc2)cc1.O=C1C(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCCCN1O
• InChI: InChI=1S/C26H32ClN3O4S.C26H31N3O4S2.C24H29N3O6S.C18H19ClN2O5S.C17H18N2O4S2/c1-28-16-6-3-7-25(26(28)31)30(20-19-29-17-4-2-5-18-29)35(32,33)24-14-12-23(13-15-24)34-22-10-8-21(27)9-11-22;1-21-6-8-22(9-7-21)10-11-23-12-13-25(34-23)35(31,32)29(16-15-28-17-19-33-20-18-28)24-5-3-4-14-27(2)26(24)30;1-18-2-5-20(6-3-18)33-21-7-9-22(10-8-21)34(30,31)25-23-11-4-19(17-27(29)24(23)28)16-26-12-14-32-15-13-26;19-13-4-6-14(7-5-13)26-15-8-10-16(11-9-15)27(24,25)20-17-3-1-2-12-21(23)18(17)22;1-12-5-7-13(8-6-12)15-9-10-16(24-15)25(22,23)18-14-4-2-3-11-19(21)17(14)20/h3,6,8-15,25H,2,4-5,7,16-20H2,1H3;3-4,6-9,12-13,24H,5,14-20H2,1-2H3;2-10,23,25,29H,11-17H2,1H3;4-11,17,20,23H,1-3,12H2;2-3,5-10,14,18,21H,4,11H2,1H3/t25-;;23-;;14-/m1.1.1/s1
• InChIKey: LCJXDKIWPHBHJJ-PAINFWAYSA-N
• XLogP: 15.01
• TPSA: 431.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2308.70
LogP ≤ 5	15.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxoazepan-3-yl)benzenesulfonamide;4-(4-chlorophenoxy)-N-[(6R)-1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl]-N-(2-piperidin-1-ylethyl)benzenesulfonamide;N-[(6R)-1-hydroxy-3-(morpholin-4-ylmethyl)-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methylphenoxy)benzenesulfonamide;N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-5-(4-methylphenyl)thiophene-2-sulfonamide;N-(1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl)-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide?

The IUPAC name of 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxoazepan-3-yl)benzenesulfonamide;4-(4-chlorophenoxy)-N-[(6R)-1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl]-N-(2-piperidin-1-ylethyl)benzenesulfonamide;N-[(6R)-1-hydroxy-3-(morpholin-4-ylmethyl)-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methylphenoxy)benzenesulfonamide;N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-5-(4-methylphenyl)thiophene-2-sulfonamide;N-(1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl)-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide (CID 159309841) is 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxoazepan-3-yl)benzenesulfonamide;4-(4-chlorophenoxy)-N-[(6R)-1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl]-N-(2-piperidin-1-ylethyl)benzenesulfonamide;N-[(6R)-1-hydroxy-3-(morpholin-4-ylmethyl)-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methylphenoxy)benzenesulfonamide;N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-5-(4-methylphenyl)thiophene-2-sulfonamide;N-(1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl)-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide.

What is the SMILES notation for 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxoazepan-3-yl)benzenesulfonamide;4-(4-chlorophenoxy)-N-[(6R)-1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl]-N-(2-piperidin-1-ylethyl)benzenesulfonamide;N-[(6R)-1-hydroxy-3-(morpholin-4-ylmethyl)-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methylphenoxy)benzenesulfonamide;N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-5-(4-methylphenyl)thiophene-2-sulfonamide;N-(1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl)-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide?

The canonical SMILES for 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxoazepan-3-yl)benzenesulfonamide;4-(4-chlorophenoxy)-N-[(6R)-1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl]-N-(2-piperidin-1-ylethyl)benzenesulfonamide;N-[(6R)-1-hydroxy-3-(morpholin-4-ylmethyl)-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methylphenoxy)benzenesulfonamide;N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-5-(4-methylphenyl)thiophene-2-sulfonamide;N-(1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl)-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide is CN1CC=CC[C@@H](N(CCN2CCCCC2)S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O.Cc1ccc(-c2ccc(S(=O)(=O)N[C@@H]3CC=CCN(O)C3=O)s2)cc1.Cc1ccc(C#Cc2ccc(S(=O)(=O)N(CCN3CCOCC3)C3CC=CCN(C)C3=O)s2)cc1.Cc1ccc(Oc2ccc(S(=O)(=O)N[C@@H]3CC=C(CN4CCOCC4)CN(O)C3=O)cc2)cc1.O=C1C(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCCCN1O.

What is the InChIKey of 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxoazepan-3-yl)benzenesulfonamide;4-(4-chlorophenoxy)-N-[(6R)-1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl]-N-(2-piperidin-1-ylethyl)benzenesulfonamide;N-[(6R)-1-hydroxy-3-(morpholin-4-ylmethyl)-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methylphenoxy)benzenesulfonamide;N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-5-(4-methylphenyl)thiophene-2-sulfonamide;N-(1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl)-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide?

The InChIKey is LCJXDKIWPHBHJJ-PAINFWAYSA-N. The full InChI is InChI=1S/C26H32ClN3O4S.C26H31N3O4S2.C24H29N3O6S.C18H19ClN2O5S.C17H18N2O4S2/c1-28-16-6-3-7-25(26(28)31)30(20-19-29-17-4-2-5-18-29)35(32,33)24-14-12-23(13-15-24)34-22-10-8-21(27)9-11-22;1-21-6-8-22(9-7-21)10-11-23-12-13-25(34-23)35(31,32)29(16-15-28-17-19-33-20-18-28)24-5-3-4-14-27(2)26(24)30;1-18-2-5-20(6-3-18)33-21-7-9-22(10-8-21)34(30,31)25-23-11-4-19(17-27(29)24(23)28)16-26-12-14-32-15-13-26;19-13-4-6-14(7-5-13)26-15-8-10-16(11-9-15)27(24,25)20-17-3-1-2-12-21(23)18(17)22;1-12-5-7-13(8-6-12)15-9-10-16(24-15)25(22,23)18-14-4-2-3-11-19(21)17(14)20/h3,6,8-15,25H,2,4-5,7,16-20H2,1H3;3-4,6-9,12-13,24H,5,14-20H2,1-2H3;2-10,23,25,29H,11-17H2,1H3;4-11,17,20,23H,1-3,12H2;2-3,5-10,14,18,21H,4,11H2,1H3/t25-;;23-;;14-/m1.1.1/s1.

What are the key properties of 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxoazepan-3-yl)benzenesulfonamide;4-(4-chlorophenoxy)-N-[(6R)-1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl]-N-(2-piperidin-1-ylethyl)benzenesulfonamide;N-[(6R)-1-hydroxy-3-(morpholin-4-ylmethyl)-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methylphenoxy)benzenesulfonamide;N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-5-(4-methylphenyl)thiophene-2-sulfonamide;N-(1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl)-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide?

4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxoazepan-3-yl)benzenesulfonamide;4-(4-chlorophenoxy)-N-[(6R)-1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl]-N-(2-piperidin-1-ylethyl)benzenesulfonamide;N-[(6R)-1-hydroxy-3-(morpholin-4-ylmethyl)-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methylphenoxy)benzenesulfonamide;N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-5-(4-methylphenyl)thiophene-2-sulfonamide;N-(1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl)-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide has a molecular weight of 2308.70 g/mol, XLogP of 15.01, 30 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxoazepan-3-yl)benzenesulfonamide;4-(4-chlorophenoxy)-N-[(6R)-1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl]-N-(2-piperidin-1-ylethyl)benzenesulfonamide;N-[(6R)-1-hydroxy-3-(morpholin-4-ylmethyl)-7-oxo-5,6-dihydro-2H-azepin-6-yl]-4-(4-methylphenoxy)benzenesulfonamide;N-[(6R)-1-hydroxy-7-oxo-5,6-dihydro-2H-azepin-6-yl]-5-(4-methylphenyl)thiophene-2-sulfonamide;N-(1-methyl-7-oxo-5,6-dihydro-2H-azepin-6-yl)-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 159309841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).