2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;bis(4-(4-carboxyphenoxy)benzoic acid);4-(3,4-diaminophenyl)sulfonylbenzene-1,2-diamine;2-methyl-6-[[2-[4-(4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole

C108H88N12O24S4 — CID 158344559

About 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;bis(4-(4-carboxyphenoxy)benzoic acid);4-(3,4-diaminophenyl)sulfonylbenzene-1,2-diamine;2-methyl-6-[[2-[4-(4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole

2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;bis(4-(4-carboxyphenoxy)benzoic acid);4-(3,4-diaminophenyl)sulfonylbenzene-1,2-diamine;2-methyl-6-[[2-[4-(4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole (PubChem CID 158344559) has the molecular formula C108H88N12O24S4 and a molecular weight of 2066.22 g/mol. Its IUPAC name is 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;bis(4-(4-carboxyphenoxy)benzoic acid);4-(3,4-diaminophenyl)sulfonylbenzene-1,2-diamine;2-methyl-6-[[2-[4-(4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;bis(4-(4-carboxyphenoxy)benzoic acid);4-(3,4-diaminophenyl)sulfonylbenzene-1,2-diamine;2-methyl-6-[[2-[4-(4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
• PubChem CID: 158344559
• Molecular Formula: C108H88N12O24S4
• Molecular Weight: 2066.22 g/mol
• Exact Mass: 2064.49
• IUPAC Name: 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;bis(4-(4-carboxyphenoxy)benzoic acid);4-(3,4-diaminophenyl)sulfonylbenzene-1,2-diamine;2-methyl-6-[[2-[4-(4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
• SMILES: Cc1ccc(Oc2ccc(-c3nc4cc(S(=O)(=O)c5ccc6oc(C)nc6c5)ccc4o3)cc2)cc1.Cc1ccc(Oc2ccc(-c3nc4ccc(S(=O)(=O)c5ccc6nc(C)[nH]c6c5)cc4[nH]3)cc2)cc1.Nc1cc(S(=O)(=O)c2ccc(O)c(N)c2)ccc1O.Nc1ccc(S(=O)(=O)c2ccc(N)c(N)c2)cc1N.O=C(O)c1ccc(Oc2ccc(C(=O)O)cc2)cc1.O=C(O)c1ccc(Oc2ccc(C(=O)O)cc2)cc1
• InChI: InChI=1S/C28H22N4O3S.C28H20N2O5S.2C14H10O5.C12H14N4O2S.C12H12N2O4S/c1-17-3-7-20(8-4-17)35-21-9-5-19(6-10-21)28-31-25-14-12-23(16-27(25)32-28)36(33,34)22-11-13-24-26(15-22)30-18(2)29-24;1-17-3-7-20(8-4-17)34-21-9-5-19(6-10-21)28-30-25-16-23(12-14-27(25)35-28)36(31,32)22-11-13-26-24(15-22)29-18(2)33-26;2*15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18;13-9-3-1-7(5-11(9)15)19(17,18)8-2-4-10(14)12(16)6-8;13-9-5-7(1-3-11(9)15)19(17,18)8-2-4-12(16)10(14)6-8/h3-16H,1-2H3,(H,29,30)(H,31,32);3-16H,1-2H3;2*1-8H,(H,15,16)(H,17,18);1-6H,13-16H2;1-6,15-16H,13-14H2
• InChIKey: GROMPKZOUICYML-UHFFFAOYSA-N
• XLogP: 20.92
• TPSA: 628.68 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2066.22
LogP ≤ 5	20.92
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;bis(4-(4-carboxyphenoxy)benzoic acid);4-(3,4-diaminophenyl)sulfonylbenzene-1,2-diamine;2-methyl-6-[[2-[4-(4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole?

The IUPAC name of 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;bis(4-(4-carboxyphenoxy)benzoic acid);4-(3,4-diaminophenyl)sulfonylbenzene-1,2-diamine;2-methyl-6-[[2-[4-(4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole (CID 158344559) is 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;bis(4-(4-carboxyphenoxy)benzoic acid);4-(3,4-diaminophenyl)sulfonylbenzene-1,2-diamine;2-methyl-6-[[2-[4-(4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole.

What is the SMILES notation for 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;bis(4-(4-carboxyphenoxy)benzoic acid);4-(3,4-diaminophenyl)sulfonylbenzene-1,2-diamine;2-methyl-6-[[2-[4-(4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole?

The canonical SMILES for 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;bis(4-(4-carboxyphenoxy)benzoic acid);4-(3,4-diaminophenyl)sulfonylbenzene-1,2-diamine;2-methyl-6-[[2-[4-(4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole is Cc1ccc(Oc2ccc(-c3nc4cc(S(=O)(=O)c5ccc6oc(C)nc6c5)ccc4o3)cc2)cc1.Cc1ccc(Oc2ccc(-c3nc4ccc(S(=O)(=O)c5ccc6nc(C)[nH]c6c5)cc4[nH]3)cc2)cc1.Nc1cc(S(=O)(=O)c2ccc(O)c(N)c2)ccc1O.Nc1ccc(S(=O)(=O)c2ccc(N)c(N)c2)cc1N.O=C(O)c1ccc(Oc2ccc(C(=O)O)cc2)cc1.O=C(O)c1ccc(Oc2ccc(C(=O)O)cc2)cc1.

What is the InChIKey of 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;bis(4-(4-carboxyphenoxy)benzoic acid);4-(3,4-diaminophenyl)sulfonylbenzene-1,2-diamine;2-methyl-6-[[2-[4-(4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole?

The InChIKey is GROMPKZOUICYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O3S.C28H20N2O5S.2C14H10O5.C12H14N4O2S.C12H12N2O4S/c1-17-3-7-20(8-4-17)35-21-9-5-19(6-10-21)28-31-25-14-12-23(16-27(25)32-28)36(33,34)22-11-13-24-26(15-22)30-18(2)29-24;1-17-3-7-20(8-4-17)34-21-9-5-19(6-10-21)28-30-25-16-23(12-14-27(25)35-28)36(31,32)22-11-13-26-24(15-22)29-18(2)33-26;2*15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18;13-9-3-1-7(5-11(9)15)19(17,18)8-2-4-10(14)12(16)6-8;13-9-5-7(1-3-11(9)15)19(17,18)8-2-4-12(16)10(14)6-8/h3-16H,1-2H3,(H,29,30)(H,31,32);3-16H,1-2H3;2*1-8H,(H,15,16)(H,17,18);1-6H,13-16H2;1-6,15-16H,13-14H2.

What are the key properties of 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;bis(4-(4-carboxyphenoxy)benzoic acid);4-(3,4-diaminophenyl)sulfonylbenzene-1,2-diamine;2-methyl-6-[[2-[4-(4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole?

2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;bis(4-(4-carboxyphenoxy)benzoic acid);4-(3,4-diaminophenyl)sulfonylbenzene-1,2-diamine;2-methyl-6-[[2-[4-(4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole has a molecular weight of 2066.22 g/mol, XLogP of 20.92, 22 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;bis(4-(4-carboxyphenoxy)benzoic acid);4-(3,4-diaminophenyl)sulfonylbenzene-1,2-diamine;2-methyl-6-[[2-[4-(4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl]sulfonyl]-1H-benzimidazole;2-methyl-5-[[2-[4-(4-methylphenoxy)phenyl]-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole is sourced from PubChem (CID 158344559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).