5-(7-tert-butylsulfonylheptyl)-1H-indazole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]indole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrazole;(2S)-1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-tert-butylsulfonylheptyl)phenyl]thiadiazole

C104H155N9O11S6 — CID 159010535

About 5-(7-tert-butylsulfonylheptyl)-1H-indazole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]indole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrazole;(2S)-1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-tert-butylsulfonylheptyl)phenyl]thiadiazole

5-(7-tert-butylsulfonylheptyl)-1H-indazole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]indole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrazole;(2S)-1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-tert-butylsulfonylheptyl)phenyl]thiadiazole (PubChem CID 159010535) has the molecular formula C104H155N9O11S6 and a molecular weight of 1899.84 g/mol. Its IUPAC name is 5-(7-tert-butylsulfonylheptyl)-1H-indazole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]indole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrazole;(2S)-1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-tert-butylsulfonylheptyl)phenyl]thiadiazole.

Molecular Properties

• Compound Name: 5-(7-tert-butylsulfonylheptyl)-1H-indazole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]indole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrazole;(2S)-1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-tert-butylsulfonylheptyl)phenyl]thiadiazole
• PubChem CID: 159010535
• Molecular Formula: C104H155N9O11S6
• Molecular Weight: 1899.84 g/mol
• Exact Mass: 1898.02
• IUPAC Name: 5-(7-tert-butylsulfonylheptyl)-1H-indazole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]indole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrazole;(2S)-1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-tert-butylsulfonylheptyl)phenyl]thiadiazole
• SMILES: CC(C)(C)S(=O)(=O)CCCCCCCc1ccc(-c2csnn2)cc1.CC(C)(C)S(=O)(=O)CCCCCCCc1ccc(-n2ccc3ccccc32)cc1.CC(C)(C)S(=O)(=O)CCCCCCCc1ccc(-n2cccn2)cc1.CC(C)(C)S(=O)(=O)CCCCCCCc1ccc(N2CCC[C@H]2C(N)=O)cc1.CC(C)(C)S(=O)(=O)CCCCCCCc1ccc2[nH]ncc2c1
• InChI: InChI=1S/C25H33NO2S.C22H36N2O3S.C20H30N2O2S.C19H28N2O2S2.C18H28N2O2S/c1-25(2,3)29(27,28)20-10-6-4-5-7-11-21-14-16-23(17-15-21)26-19-18-22-12-8-9-13-24(22)26;1-22(2,3)28(26,27)17-8-6-4-5-7-10-18-12-14-19(15-13-18)24-16-9-11-20(24)21(23)25;1-20(2,3)25(23,24)17-8-6-4-5-7-10-18-11-13-19(14-12-18)22-16-9-15-21-22;1-19(2,3)25(22,23)14-8-6-4-5-7-9-16-10-12-17(13-11-16)18-15-24-21-20-18;1-18(2,3)23(21,22)12-8-6-4-5-7-9-15-10-11-17-16(13-15)14-19-20-17/h8-9,12-19H,4-7,10-11,20H2,1-3H3;12-15,20H,4-11,16-17H2,1-3H3,(H2,23,25);9,11-16H,4-8,10,17H2,1-3H3;10-13,15H,4-9,14H2,1-3H3;10-11,13-14H,4-9,12H2,1-3H3,(H,19,20)/t;20-;;;/m.0.../s1
• InChIKey: JSKSRCDMGBVXQB-OWDKOVCCSA-N
• XLogP: 23.94
• TPSA: 294.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 45
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1899.84
LogP ≤ 5	23.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(7-tert-butylsulfonylheptyl)-1H-indazole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]indole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrazole;(2S)-1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-tert-butylsulfonylheptyl)phenyl]thiadiazole?

The IUPAC name of 5-(7-tert-butylsulfonylheptyl)-1H-indazole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]indole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrazole;(2S)-1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-tert-butylsulfonylheptyl)phenyl]thiadiazole (CID 159010535) is 5-(7-tert-butylsulfonylheptyl)-1H-indazole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]indole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrazole;(2S)-1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-tert-butylsulfonylheptyl)phenyl]thiadiazole.

What is the SMILES notation for 5-(7-tert-butylsulfonylheptyl)-1H-indazole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]indole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrazole;(2S)-1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-tert-butylsulfonylheptyl)phenyl]thiadiazole?

The canonical SMILES for 5-(7-tert-butylsulfonylheptyl)-1H-indazole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]indole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrazole;(2S)-1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-tert-butylsulfonylheptyl)phenyl]thiadiazole is CC(C)(C)S(=O)(=O)CCCCCCCc1ccc(-c2csnn2)cc1.CC(C)(C)S(=O)(=O)CCCCCCCc1ccc(-n2ccc3ccccc32)cc1.CC(C)(C)S(=O)(=O)CCCCCCCc1ccc(-n2cccn2)cc1.CC(C)(C)S(=O)(=O)CCCCCCCc1ccc(N2CCC[C@H]2C(N)=O)cc1.CC(C)(C)S(=O)(=O)CCCCCCCc1ccc2[nH]ncc2c1.

What is the InChIKey of 5-(7-tert-butylsulfonylheptyl)-1H-indazole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]indole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrazole;(2S)-1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-tert-butylsulfonylheptyl)phenyl]thiadiazole?

The InChIKey is JSKSRCDMGBVXQB-OWDKOVCCSA-N. The full InChI is InChI=1S/C25H33NO2S.C22H36N2O3S.C20H30N2O2S.C19H28N2O2S2.C18H28N2O2S/c1-25(2,3)29(27,28)20-10-6-4-5-7-11-21-14-16-23(17-15-21)26-19-18-22-12-8-9-13-24(22)26;1-22(2,3)28(26,27)17-8-6-4-5-7-10-18-12-14-19(15-13-18)24-16-9-11-20(24)21(23)25;1-20(2,3)25(23,24)17-8-6-4-5-7-10-18-11-13-19(14-12-18)22-16-9-15-21-22;1-19(2,3)25(22,23)14-8-6-4-5-7-9-16-10-12-17(13-11-16)18-15-24-21-20-18;1-18(2,3)23(21,22)12-8-6-4-5-7-9-15-10-11-17-16(13-15)14-19-20-17/h8-9,12-19H,4-7,10-11,20H2,1-3H3;12-15,20H,4-11,16-17H2,1-3H3,(H2,23,25);9,11-16H,4-8,10,17H2,1-3H3;10-13,15H,4-9,14H2,1-3H3;10-11,13-14H,4-9,12H2,1-3H3,(H,19,20)/t;20-;;;/m.0.../s1.

What are the key properties of 5-(7-tert-butylsulfonylheptyl)-1H-indazole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]indole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrazole;(2S)-1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-tert-butylsulfonylheptyl)phenyl]thiadiazole?

5-(7-tert-butylsulfonylheptyl)-1H-indazole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]indole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrazole;(2S)-1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-tert-butylsulfonylheptyl)phenyl]thiadiazole has a molecular weight of 1899.84 g/mol, XLogP of 23.94, 45 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-tert-butylsulfonylheptyl)-1H-indazole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]indole;1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrazole;(2S)-1-[4-(7-tert-butylsulfonylheptyl)phenyl]pyrrolidine-2-carboxamide;4-[4-(7-tert-butylsulfonylheptyl)phenyl]thiadiazole is sourced from PubChem (CID 159010535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).