N-[5-(3-aminoanilino)pentyl]propane-2-sulfonamide;7-(5-aminopentylamino)-4-methylchromen-2-one;N'-(1,3-benzodioxol-5-yl)pentane-1,5-diamine;N'-(4-bromophenyl)pentane-1,5-diamine;N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]pentane-1,5-diamine;N-[5-[3-(dimethylamino)anilino]pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[3-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide;N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide

C151H247BrCl2N25O24S9-5 — CID 158680810

IUPACN-[5-(3-aminoanilino)pentyl]propane-2-sulfonamide;7-(5-aminopentylamino)-4-methylchromen-2-one;N'-(1,3-benzodioxol-5-yl)pentane-1,5-diamine;N'-(4-bromophenyl)pentane-1,5-diamine;N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]pentane-1,5-diamine;N-[5-[3-(dimethylamino)anilino]pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[3-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide;N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCCCCCNS(=O)(=O)C(C)C)cc1.CC(=O)Nc1cccc(NCCCCCNS(=O)(=O)C(C)C)c1.CC(C)S(=O)(=O)NCCCCCNc1cccc(N(C)C)c1.CC(C)S(=O)(=O)NCCCCCNc1cccc(N)c1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].Cc1cc(=O)oc2cc(NCCCCCN)ccc12.NCCCCCNc1ccc(-c2ccc(N3CCCCC3)cc2)cc1.NCCCCCNc1ccc(-n2cnc(Cl)c2Cl)cc1.NCCCCCNc1ccc(Br)cc1.NCCCCCNc1ccc2c(c1)OCO2
InChIInChI=1S/C22H31N3.2C16H27N3O3S.C16H29N3O2S.C15H20N2O2.C14H18Cl2N4.C14H25N3O2S.C12H18N2O2.C11H17BrN2.5C3H8O2S/c23-15-3-1-4-16-24-21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-17-5-2-6-18-25;1-13(2)23(21,22)18-12-6-4-5-11-17-15-7-9-16(10-8-15)19-14(3)20;1-13(2)23(21,22)18-11-6-4-5-10-17-15-8-7-9-16(12-15)19-14(3)20;1-14(2)22(20,21)18-12-7-5-6-11-17-15-9-8-10-16(13-15)19(3)4;1-11-9-15(18)19-14-10-12(5-6-13(11)14)17-8-4-2-3-7-16;15-13-14(16)20(10-19-13)12-6-4-11(5-7-12)18-9-3-1-2-8-17;1-12(2)20(18,19)17-10-5-3-4-9-16-14-8-6-7-13(15)11-14;13-6-2-1-3-7-14-10-4-5-11-12(8-10)16-9-15-11;12-10-4-6-11(7-5-10)14-9-3-1-2-8-13;5*1-3(2)6(4)5/h7-14,24H,1-6,15-18,23H2;7-10,13,17-18H,4-6,11-12H2,1-3H3,(H,19,20);7-9,12-13,17-18H,4-6,10-11H2,1-3H3,(H,19,20);8-10,13-14,17-18H,5-7,11-12H2,1-4H3;5-6,9-10,17H,2-4,7-8,16H2,1H3;4-7,10,18H,1-3,8-9,17H2;6-8,11-12,16-17H,3-5,9-10,15H2,1-2H3;4-5,8,14H,1-3,6-7,9,13H2;4-7,14H,1-3,8-9,13H2;5*3H,1-2H3,(H,4,5)/p-5
InChIKeyHZXDYZNAEBNCNW-UHFFFAOYSA-I
MW3236.20 g/mol
LogP27.51
Rot. Bonds77

About N-[5-(3-aminoanilino)pentyl]propane-2-sulfonamide;7-(5-aminopentylamino)-4-methylchromen-2-one;N'-(1,3-benzodioxol-5-yl)pentane-1,5-diamine;N'-(4-bromophenyl)pentane-1,5-diamine;N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]pentane-1,5-diamine;N-[5-[3-(dimethylamino)anilino]pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[3-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide;N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide

N-[5-(3-aminoanilino)pentyl]propane-2-sulfonamide;7-(5-aminopentylamino)-4-methylchromen-2-one;N'-(1,3-benzodioxol-5-yl)pentane-1,5-diamine;N'-(4-bromophenyl)pentane-1,5-diamine;N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]pentane-1,5-diamine;N-[5-[3-(dimethylamino)anilino]pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[3-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide;N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide (PubChem CID 158680810) has the molecular formula C151H247BrCl2N25O24S9-5 and a molecular weight of 3236.20 g/mol. Its IUPAC name is N-[5-(3-aminoanilino)pentyl]propane-2-sulfonamide;7-(5-aminopentylamino)-4-methylchromen-2-one;N'-(1,3-benzodioxol-5-yl)pentane-1,5-diamine;N'-(4-bromophenyl)pentane-1,5-diamine;N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]pentane-1,5-diamine;N-[5-[3-(dimethylamino)anilino]pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[3-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide;N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[5-(3-aminoanilino)pentyl]propane-2-sulfonamide;7-(5-aminopentylamino)-4-methylchromen-2-one;N'-(1,3-benzodioxol-5-yl)pentane-1,5-diamine;N'-(4-bromophenyl)pentane-1,5-diamine;N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]pentane-1,5-diamine;N-[5-[3-(dimethylamino)anilino]pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[3-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide;N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide
PubChem CID158680810
Molecular FormulaC151H247BrCl2N25O24S9-5
Molecular Weight3236.20 g/mol
Exact Mass3231.50
IUPAC NameN-[5-(3-aminoanilino)pentyl]propane-2-sulfonamide;7-(5-aminopentylamino)-4-methylchromen-2-one;N'-(1,3-benzodioxol-5-yl)pentane-1,5-diamine;N'-(4-bromophenyl)pentane-1,5-diamine;N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]pentane-1,5-diamine;N-[5-[3-(dimethylamino)anilino]pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[3-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide;N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCCCCCNS(=O)(=O)C(C)C)cc1.CC(=O)Nc1cccc(NCCCCCNS(=O)(=O)C(C)C)c1.CC(C)S(=O)(=O)NCCCCCNc1cccc(N(C)C)c1.CC(C)S(=O)(=O)NCCCCCNc1cccc(N)c1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].Cc1cc(=O)oc2cc(NCCCCCN)ccc12.NCCCCCNc1ccc(-c2ccc(N3CCCCC3)cc2)cc1.NCCCCCNc1ccc(-n2cnc(Cl)c2Cl)cc1.NCCCCCNc1ccc(Br)cc1.NCCCCCNc1ccc2c(c1)OCO2
InChIInChI=1S/C22H31N3.2C16H27N3O3S.C16H29N3O2S.C15H20N2O2.C14H18Cl2N4.C14H25N3O2S.C12H18N2O2.C11H17BrN2.5C3H8O2S/c23-15-3-1-4-16-24-21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-17-5-2-6-18-25;1-13(2)23(21,22)18-12-6-4-5-11-17-15-7-9-16(10-8-15)19-14(3)20;1-13(2)23(21,22)18-11-6-4-5-10-17-15-8-7-9-16(12-15)19-14(3)20;1-14(2)22(20,21)18-12-7-5-6-11-17-15-9-8-10-16(13-15)19(3)4;1-11-9-15(18)19-14-10-12(5-6-13(11)14)17-8-4-2-3-7-16;15-13-14(16)20(10-19-13)12-6-4-11(5-7-12)18-9-3-1-2-8-17;1-12(2)20(18,19)17-10-5-3-4-9-16-14-8-6-7-13(15)11-14;13-6-2-1-3-7-14-10-4-5-11-12(8-10)16-9-15-11;12-10-4-6-11(7-5-10)14-9-3-1-2-8-13;5*1-3(2)6(4)5/h7-14,24H,1-6,15-18,23H2;7-10,13,17-18H,4-6,11-12H2,1-3H3,(H,19,20);7-9,12-13,17-18H,4-6,10-11H2,1-3H3,(H,19,20);8-10,13-14,17-18H,5-7,11-12H2,1-4H3;5-6,9-10,17H,2-4,7-8,16H2,1H3;4-7,10,18H,1-3,8-9,17H2;6-8,11-12,16-17H,3-5,9-10,15H2,1-2H3;4-5,8,14H,1-3,6-7,9,13H2;4-7,14H,1-3,8-9,13H2;5*3H,1-2H3,(H,4,5)/p-5
InChIKeyHZXDYZNAEBNCNW-UHFFFAOYSA-I
XLogP27.51
TPSA780.89 Ų
H-Bond Donors21
H-Bond Acceptors43
Rotatable Bonds77
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003236.20
LogP ≤ 527.51
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze N-[5-(3-aminoanilino)pentyl]propane-2-sulfonamide;7-(5-aminopentylamino)-4-methylchromen-2-one;N'-(1,3-benzodioxol-5-yl)pentane-1,5-diamine;N'-(4-bromophenyl)pentane-1,5-diamine;N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]pentane-1,5-diamine;N-[5-[3-(dimethylamino)anilino]pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[3-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide;N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminoanilino)pentyl]propane-2-sulfonamide;7-(5-aminopentylamino)-4-methylchromen-2-one;N'-(1,3-benzodioxol-5-yl)pentane-1,5-diamine;N'-(4-bromophenyl)pentane-1,5-diamine;N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]pentane-1,5-diamine;N-[5-[3-(dimethylamino)anilino]pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[3-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide;N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide?
The IUPAC name of N-[5-(3-aminoanilino)pentyl]propane-2-sulfonamide;7-(5-aminopentylamino)-4-methylchromen-2-one;N'-(1,3-benzodioxol-5-yl)pentane-1,5-diamine;N'-(4-bromophenyl)pentane-1,5-diamine;N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]pentane-1,5-diamine;N-[5-[3-(dimethylamino)anilino]pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[3-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide;N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide (CID 158680810) is N-[5-(3-aminoanilino)pentyl]propane-2-sulfonamide;7-(5-aminopentylamino)-4-methylchromen-2-one;N'-(1,3-benzodioxol-5-yl)pentane-1,5-diamine;N'-(4-bromophenyl)pentane-1,5-diamine;N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]pentane-1,5-diamine;N-[5-[3-(dimethylamino)anilino]pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[3-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide;N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide.
What is the SMILES notation for N-[5-(3-aminoanilino)pentyl]propane-2-sulfonamide;7-(5-aminopentylamino)-4-methylchromen-2-one;N'-(1,3-benzodioxol-5-yl)pentane-1,5-diamine;N'-(4-bromophenyl)pentane-1,5-diamine;N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]pentane-1,5-diamine;N-[5-[3-(dimethylamino)anilino]pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[3-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide;N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide?
The canonical SMILES for N-[5-(3-aminoanilino)pentyl]propane-2-sulfonamide;7-(5-aminopentylamino)-4-methylchromen-2-one;N'-(1,3-benzodioxol-5-yl)pentane-1,5-diamine;N'-(4-bromophenyl)pentane-1,5-diamine;N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]pentane-1,5-diamine;N-[5-[3-(dimethylamino)anilino]pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[3-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide;N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide is CC(=O)Nc1ccc(NCCCCCNS(=O)(=O)C(C)C)cc1.CC(=O)Nc1cccc(NCCCCCNS(=O)(=O)C(C)C)c1.CC(C)S(=O)(=O)NCCCCCNc1cccc(N(C)C)c1.CC(C)S(=O)(=O)NCCCCCNc1cccc(N)c1.CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].CC(C)S(=O)[O-].Cc1cc(=O)oc2cc(NCCCCCN)ccc12.NCCCCCNc1ccc(-c2ccc(N3CCCCC3)cc2)cc1.NCCCCCNc1ccc(-n2cnc(Cl)c2Cl)cc1.NCCCCCNc1ccc(Br)cc1.NCCCCCNc1ccc2c(c1)OCO2.
What is the InChIKey of N-[5-(3-aminoanilino)pentyl]propane-2-sulfonamide;7-(5-aminopentylamino)-4-methylchromen-2-one;N'-(1,3-benzodioxol-5-yl)pentane-1,5-diamine;N'-(4-bromophenyl)pentane-1,5-diamine;N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]pentane-1,5-diamine;N-[5-[3-(dimethylamino)anilino]pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[3-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide;N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide?
The InChIKey is HZXDYZNAEBNCNW-UHFFFAOYSA-I. The full InChI is InChI=1S/C22H31N3.2C16H27N3O3S.C16H29N3O2S.C15H20N2O2.C14H18Cl2N4.C14H25N3O2S.C12H18N2O2.C11H17BrN2.5C3H8O2S/c23-15-3-1-4-16-24-21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-17-5-2-6-18-25;1-13(2)23(21,22)18-12-6-4-5-11-17-15-7-9-16(10-8-15)19-14(3)20;1-13(2)23(21,22)18-11-6-4-5-10-17-15-8-7-9-16(12-15)19-14(3)20;1-14(2)22(20,21)18-12-7-5-6-11-17-15-9-8-10-16(13-15)19(3)4;1-11-9-15(18)19-14-10-12(5-6-13(11)14)17-8-4-2-3-7-16;15-13-14(16)20(10-19-13)12-6-4-11(5-7-12)18-9-3-1-2-8-17;1-12(2)20(18,19)17-10-5-3-4-9-16-14-8-6-7-13(15)11-14;13-6-2-1-3-7-14-10-4-5-11-12(8-10)16-9-15-11;12-10-4-6-11(7-5-10)14-9-3-1-2-8-13;5*1-3(2)6(4)5/h7-14,24H,1-6,15-18,23H2;7-10,13,17-18H,4-6,11-12H2,1-3H3,(H,19,20);7-9,12-13,17-18H,4-6,10-11H2,1-3H3,(H,19,20);8-10,13-14,17-18H,5-7,11-12H2,1-4H3;5-6,9-10,17H,2-4,7-8,16H2,1H3;4-7,10,18H,1-3,8-9,17H2;6-8,11-12,16-17H,3-5,9-10,15H2,1-2H3;4-5,8,14H,1-3,6-7,9,13H2;4-7,14H,1-3,8-9,13H2;5*3H,1-2H3,(H,4,5)/p-5.
What are the key properties of N-[5-(3-aminoanilino)pentyl]propane-2-sulfonamide;7-(5-aminopentylamino)-4-methylchromen-2-one;N'-(1,3-benzodioxol-5-yl)pentane-1,5-diamine;N'-(4-bromophenyl)pentane-1,5-diamine;N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]pentane-1,5-diamine;N-[5-[3-(dimethylamino)anilino]pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[3-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide;N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide?
N-[5-(3-aminoanilino)pentyl]propane-2-sulfonamide;7-(5-aminopentylamino)-4-methylchromen-2-one;N'-(1,3-benzodioxol-5-yl)pentane-1,5-diamine;N'-(4-bromophenyl)pentane-1,5-diamine;N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]pentane-1,5-diamine;N-[5-[3-(dimethylamino)anilino]pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[3-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide;N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide has a molecular weight of 3236.20 g/mol, XLogP of 27.51, 77 rotatable bonds, 21 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminoanilino)pentyl]propane-2-sulfonamide;7-(5-aminopentylamino)-4-methylchromen-2-one;N'-(1,3-benzodioxol-5-yl)pentane-1,5-diamine;N'-(4-bromophenyl)pentane-1,5-diamine;N'-[4-(4,5-dichloroimidazol-1-yl)phenyl]pentane-1,5-diamine;N-[5-[3-(dimethylamino)anilino]pentyl]propane-2-sulfonamide;N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine;pentakis(propane-2-sulfinate);N-[3-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide;N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide is sourced from PubChem (CID 158680810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).