N-[5-(4-aminoanilino)pentyl]propane-2-sulfonamide;N-[5-[4-(3-aminopyrrolidin-1-yl)anilino]pentyl]propane-2-sulfonamide;tert-butyl N-[1-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]propane-2-sulfonamide;N-[5-(4-indol-1-ylanilino)pentyl]propane-2-sulfonamide;N-[5-(4-pyrazol-1-ylanilino)pentyl]propane-2-sulfonamide;dihydrochloride

C136H220Cl2N24O17S7 — CID 159179323

About N-[5-(4-aminoanilino)pentyl]propane-2-sulfonamide;N-[5-[4-(3-aminopyrrolidin-1-yl)anilino]pentyl]propane-2-sulfonamide;tert-butyl N-[1-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]propane-2-sulfonamide;N-[5-(4-indol-1-ylanilino)pentyl]propane-2-sulfonamide;N-[5-(4-pyrazol-1-ylanilino)pentyl]propane-2-sulfonamide;dihydrochloride

N-[5-(4-aminoanilino)pentyl]propane-2-sulfonamide;N-[5-[4-(3-aminopyrrolidin-1-yl)anilino]pentyl]propane-2-sulfonamide;tert-butyl N-[1-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]propane-2-sulfonamide;N-[5-(4-indol-1-ylanilino)pentyl]propane-2-sulfonamide;N-[5-(4-pyrazol-1-ylanilino)pentyl]propane-2-sulfonamide;dihydrochloride (PubChem CID 159179323) has the molecular formula C136H220Cl2N24O17S7 and a molecular weight of 2758.78 g/mol. Its IUPAC name is N-[5-(4-aminoanilino)pentyl]propane-2-sulfonamide;N-[5-[4-(3-aminopyrrolidin-1-yl)anilino]pentyl]propane-2-sulfonamide;tert-butyl N-[1-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]propane-2-sulfonamide;N-[5-(4-indol-1-ylanilino)pentyl]propane-2-sulfonamide;N-[5-(4-pyrazol-1-ylanilino)pentyl]propane-2-sulfonamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[5-(4-aminoanilino)pentyl]propane-2-sulfonamide;N-[5-[4-(3-aminopyrrolidin-1-yl)anilino]pentyl]propane-2-sulfonamide;tert-butyl N-[1-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]propane-2-sulfonamide;N-[5-(4-indol-1-ylanilino)pentyl]propane-2-sulfonamide;N-[5-(4-pyrazol-1-ylanilino)pentyl]propane-2-sulfonamide;dihydrochloride
• PubChem CID: 159179323
• Molecular Formula: C136H220Cl2N24O17S7
• Molecular Weight: 2758.78 g/mol
• Exact Mass: 2755.45
• IUPAC Name: N-[5-(4-aminoanilino)pentyl]propane-2-sulfonamide;N-[5-[4-(3-aminopyrrolidin-1-yl)anilino]pentyl]propane-2-sulfonamide;tert-butyl N-[1-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]propane-2-sulfonamide;N-[5-(4-indol-1-ylanilino)pentyl]propane-2-sulfonamide;N-[5-(4-pyrazol-1-ylanilino)pentyl]propane-2-sulfonamide;dihydrochloride
• SMILES: CC(C)S(=O)(=O)NCCCCCNc1ccc(-n2ccc3ccccc32)cc1.CC(C)S(=O)(=O)NCCCCCNc1ccc(-n2cccn2)cc1.CC(C)S(=O)(=O)NCCCCCNc1ccc(N)cc1.CC(C)S(=O)(=O)NCCCCCNc1ccc(N2CCC(N)C2)cc1.CC(C)S(=O)(=O)NCCCCCNc1ccc(N2CCC(NC(=O)OC(C)(C)C)C2)cc1.CC(C)S(=O)(=O)NCCCCCNc1ccc(N2CCc3ccccc32)cc1.CC(C)S(=O)(=O)NCCCCCNc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1.Cl.Cl
• InChI: InChI=1S/C23H40N4O4S.C22H31N3O2S.C22H29N3O2S.C20H35N3O3S.C18H32N4O2S.C17H26N4O2S.C14H25N3O2S.2ClH/c1-18(2)32(29,30)25-15-8-6-7-14-24-19-9-11-21(12-10-19)27-16-13-20(17-27)26-22(28)31-23(3,4)5;2*1-18(2)28(26,27)24-16-7-3-6-15-23-20-10-12-21(13-11-20)25-17-14-19-8-4-5-9-22(19)25;1-16(2)27(24,25)22-13-7-5-6-12-21-19-8-10-20(11-9-19)23-14-17(3)26-18(4)15-23;1-15(2)25(23,24)21-12-5-3-4-11-20-17-6-8-18(9-7-17)22-13-10-16(19)14-22;1-15(2)24(22,23)20-13-5-3-4-11-18-16-7-9-17(10-8-16)21-14-6-12-19-21;1-12(2)20(18,19)17-11-5-3-4-10-16-14-8-6-13(15)7-9-14;;/h9-12,18,20,24-25H,6-8,13-17H2,1-5H3,(H,26,28);4-5,8-13,18,23-24H,3,6-7,14-17H2,1-2H3;4-5,8-14,17-18,23-24H,3,6-7,15-16H2,1-2H3;8-11,16-18,21-22H,5-7,12-15H2,1-4H3;6-9,15-16,20-21H,3-5,10-14,19H2,1-2H3;6-10,12,14-15,18,20H,3-5,11,13H2,1-2H3;6-9,12,16-17H,3-5,10-11,15H2,1-2H3;2*1H/t;;;17-,18+
• InChIKey: PZFDLFOSMOPNLU-KRUDBUOGSA-N
• XLogP: 23.68
• TPSA: 542.71 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 33
• Rotatable Bonds: 70
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2758.78
LogP ≤ 5	23.68
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-aminoanilino)pentyl]propane-2-sulfonamide;N-[5-[4-(3-aminopyrrolidin-1-yl)anilino]pentyl]propane-2-sulfonamide;tert-butyl N-[1-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]propane-2-sulfonamide;N-[5-(4-indol-1-ylanilino)pentyl]propane-2-sulfonamide;N-[5-(4-pyrazol-1-ylanilino)pentyl]propane-2-sulfonamide;dihydrochloride?

The IUPAC name of N-[5-(4-aminoanilino)pentyl]propane-2-sulfonamide;N-[5-[4-(3-aminopyrrolidin-1-yl)anilino]pentyl]propane-2-sulfonamide;tert-butyl N-[1-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]propane-2-sulfonamide;N-[5-(4-indol-1-ylanilino)pentyl]propane-2-sulfonamide;N-[5-(4-pyrazol-1-ylanilino)pentyl]propane-2-sulfonamide;dihydrochloride (CID 159179323) is N-[5-(4-aminoanilino)pentyl]propane-2-sulfonamide;N-[5-[4-(3-aminopyrrolidin-1-yl)anilino]pentyl]propane-2-sulfonamide;tert-butyl N-[1-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]propane-2-sulfonamide;N-[5-(4-indol-1-ylanilino)pentyl]propane-2-sulfonamide;N-[5-(4-pyrazol-1-ylanilino)pentyl]propane-2-sulfonamide;dihydrochloride.

What is the SMILES notation for N-[5-(4-aminoanilino)pentyl]propane-2-sulfonamide;N-[5-[4-(3-aminopyrrolidin-1-yl)anilino]pentyl]propane-2-sulfonamide;tert-butyl N-[1-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]propane-2-sulfonamide;N-[5-(4-indol-1-ylanilino)pentyl]propane-2-sulfonamide;N-[5-(4-pyrazol-1-ylanilino)pentyl]propane-2-sulfonamide;dihydrochloride?

The canonical SMILES for N-[5-(4-aminoanilino)pentyl]propane-2-sulfonamide;N-[5-[4-(3-aminopyrrolidin-1-yl)anilino]pentyl]propane-2-sulfonamide;tert-butyl N-[1-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]propane-2-sulfonamide;N-[5-(4-indol-1-ylanilino)pentyl]propane-2-sulfonamide;N-[5-(4-pyrazol-1-ylanilino)pentyl]propane-2-sulfonamide;dihydrochloride is CC(C)S(=O)(=O)NCCCCCNc1ccc(-n2ccc3ccccc32)cc1.CC(C)S(=O)(=O)NCCCCCNc1ccc(-n2cccn2)cc1.CC(C)S(=O)(=O)NCCCCCNc1ccc(N)cc1.CC(C)S(=O)(=O)NCCCCCNc1ccc(N2CCC(N)C2)cc1.CC(C)S(=O)(=O)NCCCCCNc1ccc(N2CCC(NC(=O)OC(C)(C)C)C2)cc1.CC(C)S(=O)(=O)NCCCCCNc1ccc(N2CCc3ccccc32)cc1.CC(C)S(=O)(=O)NCCCCCNc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1.Cl.Cl.

What is the InChIKey of N-[5-(4-aminoanilino)pentyl]propane-2-sulfonamide;N-[5-[4-(3-aminopyrrolidin-1-yl)anilino]pentyl]propane-2-sulfonamide;tert-butyl N-[1-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]propane-2-sulfonamide;N-[5-(4-indol-1-ylanilino)pentyl]propane-2-sulfonamide;N-[5-(4-pyrazol-1-ylanilino)pentyl]propane-2-sulfonamide;dihydrochloride?

The InChIKey is PZFDLFOSMOPNLU-KRUDBUOGSA-N. The full InChI is InChI=1S/C23H40N4O4S.C22H31N3O2S.C22H29N3O2S.C20H35N3O3S.C18H32N4O2S.C17H26N4O2S.C14H25N3O2S.2ClH/c1-18(2)32(29,30)25-15-8-6-7-14-24-19-9-11-21(12-10-19)27-16-13-20(17-27)26-22(28)31-23(3,4)5;2*1-18(2)28(26,27)24-16-7-3-6-15-23-20-10-12-21(13-11-20)25-17-14-19-8-4-5-9-22(19)25;1-16(2)27(24,25)22-13-7-5-6-12-21-19-8-10-20(11-9-19)23-14-17(3)26-18(4)15-23;1-15(2)25(23,24)21-12-5-3-4-11-20-17-6-8-18(9-7-17)22-13-10-16(19)14-22;1-15(2)24(22,23)20-13-5-3-4-11-18-16-7-9-17(10-8-16)21-14-6-12-19-21;1-12(2)20(18,19)17-11-5-3-4-10-16-14-8-6-13(15)7-9-14;;/h9-12,18,20,24-25H,6-8,13-17H2,1-5H3,(H,26,28);4-5,8-13,18,23-24H,3,6-7,14-17H2,1-2H3;4-5,8-14,17-18,23-24H,3,6-7,15-16H2,1-2H3;8-11,16-18,21-22H,5-7,12-15H2,1-4H3;6-9,15-16,20-21H,3-5,10-14,19H2,1-2H3;6-10,12,14-15,18,20H,3-5,11,13H2,1-2H3;6-9,12,16-17H,3-5,10-11,15H2,1-2H3;2*1H/t;;;17-,18+;;;;;.

What are the key properties of N-[5-(4-aminoanilino)pentyl]propane-2-sulfonamide;N-[5-[4-(3-aminopyrrolidin-1-yl)anilino]pentyl]propane-2-sulfonamide;tert-butyl N-[1-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]propane-2-sulfonamide;N-[5-(4-indol-1-ylanilino)pentyl]propane-2-sulfonamide;N-[5-(4-pyrazol-1-ylanilino)pentyl]propane-2-sulfonamide;dihydrochloride?

N-[5-(4-aminoanilino)pentyl]propane-2-sulfonamide;N-[5-[4-(3-aminopyrrolidin-1-yl)anilino]pentyl]propane-2-sulfonamide;tert-butyl N-[1-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]propane-2-sulfonamide;N-[5-(4-indol-1-ylanilino)pentyl]propane-2-sulfonamide;N-[5-(4-pyrazol-1-ylanilino)pentyl]propane-2-sulfonamide;dihydrochloride has a molecular weight of 2758.78 g/mol, XLogP of 23.68, 70 rotatable bonds, 17 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-aminoanilino)pentyl]propane-2-sulfonamide;N-[5-[4-(3-aminopyrrolidin-1-yl)anilino]pentyl]propane-2-sulfonamide;tert-butyl N-[1-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]pyrrolidin-3-yl]carbamate;N-[5-[4-(2,3-dihydroindol-1-yl)anilino]pentyl]propane-2-sulfonamide;N-[5-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pentyl]propane-2-sulfonamide;N-[5-(4-indol-1-ylanilino)pentyl]propane-2-sulfonamide;N-[5-(4-pyrazol-1-ylanilino)pentyl]propane-2-sulfonamide;dihydrochloride is sourced from PubChem (CID 159179323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).