2-aminobenzenesulfonic acid;2-aminobenzoic acid;3-amino-5-hydroxynaphthalene-2-sulfonic acid;4-amino-5-hydroxynaphthalene-2-sulfonic acid;6-aminonaphthalen-1-ol;7-aminonaphthalen-1-ol;4-[(4-aminophenyl)diazenyl]benzenesulfonic acid;aniline;benzene-1,3-diamine;2-methoxy-5-methylaniline;2-methoxy-4-nitroaniline;bis(naphthalen-1-amine);nonakis(sulfur trioxide)

C118H120N18O49S13 — CID 161298099

IUPAC2-aminobenzenesulfonic acid;2-aminobenzoic acid;3-amino-5-hydroxynaphthalene-2-sulfonic acid;4-amino-5-hydroxynaphthalene-2-sulfonic acid;6-aminonaphthalen-1-ol;7-aminonaphthalen-1-ol;4-[(4-aminophenyl)diazenyl]benzenesulfonic acid;aniline;benzene-1,3-diamine;2-methoxy-5-methylaniline;2-methoxy-4-nitroaniline;bis(naphthalen-1-amine);nonakis(sulfur trioxide)
SMILESCOc1cc([N+](=O)[O-])ccc1N.COc1ccc(C)cc1N.Nc1cc(S(=O)(=O)O)cc2cccc(O)c12.Nc1cc2c(O)cccc2cc1S(=O)(=O)O.Nc1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1.Nc1ccc2c(O)cccc2c1.Nc1ccc2cccc(O)c2c1.Nc1cccc(N)c1.Nc1cccc2ccccc12.Nc1cccc2ccccc12.Nc1ccccc1.Nc1ccccc1.Nc1ccccc1C(=O)O.Nc1ccccc1S(=O)(=O)O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C12H11N3O3S.2C10H9NO4S.2C10H9NO.2C10H9N.C8H11NO.C7H8N2O3.C7H7NO2.C6H8N2.C6H7NO3S.2C6H7N.9O3S/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)19(16,17)18;11-8-5-7-6(2-1-3-9(7)12)4-10(8)16(13,14)15;11-8-5-7(16(13,14)15)4-6-2-1-3-9(12)10(6)8;11-8-4-5-9-7(6-8)2-1-3-10(9)12;11-8-5-4-7-2-1-3-10(12)9(7)6-8;2*11-10-7-3-5-8-4-1-2-6-9(8)10;1-6-3-4-8(10-2)7(9)5-6;1-12-7-4-5(9(10)11)2-3-6(7)8;8-6-4-2-1-3-5(6)7(9)10;7-5-2-1-3-6(8)4-5;7-5-3-1-2-4-6(5)11(8,9)10;2*7-6-4-2-1-3-5-6;9*1-4(2)3/h1-8H,13H2,(H,16,17,18);2*1-5,12H,11H2,(H,13,14,15);2*1-6,12H,11H2;2*1-7H,11H2;3-5H,9H2,1-2H3;2-4H,8H2,1H3;1-4H,8H2,(H,9,10);1-4H,7-8H2;1-4H,7H2,(H,8,9,10);2*1-5H,7H2;;;;;;;;;/b15-14+;;;;;;;;;;;;;;;;;;;;;;
InChIKeyVHFZRALBQOBXLA-KYZCQMFNSA-N
MW2991.21 g/mol
LogP13.38
Rot. Bonds10

About 2-aminobenzenesulfonic acid;2-aminobenzoic acid;3-amino-5-hydroxynaphthalene-2-sulfonic acid;4-amino-5-hydroxynaphthalene-2-sulfonic acid;6-aminonaphthalen-1-ol;7-aminonaphthalen-1-ol;4-[(4-aminophenyl)diazenyl]benzenesulfonic acid;aniline;benzene-1,3-diamine;2-methoxy-5-methylaniline;2-methoxy-4-nitroaniline;bis(naphthalen-1-amine);nonakis(sulfur trioxide)

2-aminobenzenesulfonic acid;2-aminobenzoic acid;3-amino-5-hydroxynaphthalene-2-sulfonic acid;4-amino-5-hydroxynaphthalene-2-sulfonic acid;6-aminonaphthalen-1-ol;7-aminonaphthalen-1-ol;4-[(4-aminophenyl)diazenyl]benzenesulfonic acid;aniline;benzene-1,3-diamine;2-methoxy-5-methylaniline;2-methoxy-4-nitroaniline;bis(naphthalen-1-amine);nonakis(sulfur trioxide) (PubChem CID 161298099) has the molecular formula C118H120N18O49S13 and a molecular weight of 2991.21 g/mol. Its IUPAC name is 2-aminobenzenesulfonic acid;2-aminobenzoic acid;3-amino-5-hydroxynaphthalene-2-sulfonic acid;4-amino-5-hydroxynaphthalene-2-sulfonic acid;6-aminonaphthalen-1-ol;7-aminonaphthalen-1-ol;4-[(4-aminophenyl)diazenyl]benzenesulfonic acid;aniline;benzene-1,3-diamine;2-methoxy-5-methylaniline;2-methoxy-4-nitroaniline;bis(naphthalen-1-amine);nonakis(sulfur trioxide).

Molecular Properties

Compound Name2-aminobenzenesulfonic acid;2-aminobenzoic acid;3-amino-5-hydroxynaphthalene-2-sulfonic acid;4-amino-5-hydroxynaphthalene-2-sulfonic acid;6-aminonaphthalen-1-ol;7-aminonaphthalen-1-ol;4-[(4-aminophenyl)diazenyl]benzenesulfonic acid;aniline;benzene-1,3-diamine;2-methoxy-5-methylaniline;2-methoxy-4-nitroaniline;bis(naphthalen-1-amine);nonakis(sulfur trioxide)
PubChem CID161298099
Molecular FormulaC118H120N18O49S13
Molecular Weight2991.21 g/mol
Exact Mass2988.38
IUPAC Name2-aminobenzenesulfonic acid;2-aminobenzoic acid;3-amino-5-hydroxynaphthalene-2-sulfonic acid;4-amino-5-hydroxynaphthalene-2-sulfonic acid;6-aminonaphthalen-1-ol;7-aminonaphthalen-1-ol;4-[(4-aminophenyl)diazenyl]benzenesulfonic acid;aniline;benzene-1,3-diamine;2-methoxy-5-methylaniline;2-methoxy-4-nitroaniline;bis(naphthalen-1-amine);nonakis(sulfur trioxide)
SMILESCOc1cc([N+](=O)[O-])ccc1N.COc1ccc(C)cc1N.Nc1cc(S(=O)(=O)O)cc2cccc(O)c12.Nc1cc2c(O)cccc2cc1S(=O)(=O)O.Nc1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1.Nc1ccc2c(O)cccc2c1.Nc1ccc2cccc(O)c2c1.Nc1cccc(N)c1.Nc1cccc2ccccc12.Nc1cccc2ccccc12.Nc1ccccc1.Nc1ccccc1.Nc1ccccc1C(=O)O.Nc1ccccc1S(=O)(=O)O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O
InChIInChI=1S/C12H11N3O3S.2C10H9NO4S.2C10H9NO.2C10H9N.C8H11NO.C7H8N2O3.C7H7NO2.C6H8N2.C6H7NO3S.2C6H7N.9O3S/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)19(16,17)18;11-8-5-7-6(2-1-3-9(7)12)4-10(8)16(13,14)15;11-8-5-7(16(13,14)15)4-6-2-1-3-9(12)10(6)8;11-8-4-5-9-7(6-8)2-1-3-10(9)12;11-8-5-4-7-2-1-3-10(12)9(7)6-8;2*11-10-7-3-5-8-4-1-2-6-9(8)10;1-6-3-4-8(10-2)7(9)5-6;1-12-7-4-5(9(10)11)2-3-6(7)8;8-6-4-2-1-3-5(6)7(9)10;7-5-2-1-3-6(8)4-5;7-5-3-1-2-4-6(5)11(8,9)10;2*7-6-4-2-1-3-5-6;9*1-4(2)3/h1-8H,13H2,(H,16,17,18);2*1-5,12H,11H2,(H,13,14,15);2*1-6,12H,11H2;2*1-7H,11H2;3-5H,9H2,1-2H3;2-4H,8H2,1H3;1-4H,8H2,(H,9,10);1-4H,7-8H2;1-4H,7H2,(H,8,9,10);2*1-5H,7H2;;;;;;;;;/b15-14+;;;;;;;;;;;;;;;;;;;;;;
InChIKeyVHFZRALBQOBXLA-KYZCQMFNSA-N
XLogP13.38
TPSA1273.21 Ų
H-Bond Donors24
H-Bond Acceptors61
Rotatable Bonds10
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002991.21
LogP ≤ 513.38
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1061

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 2-aminobenzenesulfonic acid;2-aminobenzoic acid;3-amino-5-hydroxynaphthalene-2-sulfonic acid;4-amino-5-hydroxynaphthalene-2-sulfonic acid;6-aminonaphthalen-1-ol;7-aminonaphthalen-1-ol;4-[(4-aminophenyl)diazenyl]benzenesulfonic acid;aniline;benzene-1,3-diamine;2-methoxy-5-methylaniline;2-methoxy-4-nitroaniline;bis(naphthalen-1-amine);nonakis(sulfur trioxide) with MolForge

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Related Compounds

heptasodium;7-amino-4-hydroxy-3-[[4-[(8-hydroxy-6-sulfonatonaphthalen-1-yl)diazenyl]-7-oxidoperoxysulfanylnaphthalen-1-yl]diazenyl]naphthalene-2-sulfonate;6-amino-4-hydroxy-3-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]naphthalene-2-sulfonate;5-[[10-[(8-aminonaphthalen-2-yl)diazenyl]anthracen-9-yl]diazenyl]naphthalene-1-sulfonate;2-[[4-[(8-aminonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-5-nitrophenol;7-[[4-[(4-methylphenyl)diazenyl]naphthalen-1-yl]diazenyl]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate
CID 160610457
7-amino-4-hydroxynaphthalene-2-sulfonic acid;2-methoxy-4-methylbenzenesulfonic acid
CID 88689633
aniline;2-methoxy-4-nitroaniline
CID 154966148
sodium;2-amino-4,6-dinitrophenol;8-amino-3,6-disulfonaphthalen-1-olate;4-amino-5-hydroxynaphthalene-1,3-disulfonic acid;4-amino-3-methylbenzenesulfonic acid;benzene-1,3-diol;iron;4-nitroaniline
CID 170851870
(2-amino-5-nitrophenyl) 6-aminonaphthalene-1-sulfonate
CID 88699900
sodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methoxyphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonic acid;bis(5-amino-3-[[4-[4-[(8-amino-1-hydroxy-6-sulfonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid);2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid;4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate;hexakis(sulfur trioxide)
CID 159048826
8-amino-4-hydroxy-5-[(8-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid;sulfur trioxide
CID 163748081
4-methylbenzenesulfonic acid;(4-nitrophenyl)-phenyldiazene
CID 174911853
3-amino-5-hydroxy-6-[[4-[[4-[(2-methoxy-4-phenyldiazenylphenyl)diazenyl]-3-methylphenyl]diazenyl]-3-methylphenyl]diazenyl]naphthalene-2-sulfonic acid
CID 136606721
3-aminonaphthalene-2,7-disulfonic acid;6-aminonaphthalene-1-sulfonic acid;6-aminonaphthalene-2-sulfonic acid;7-aminonaphthalene-1-sulfonic acid;7-aminonaphthalene-2-sulfonic acid
CID 162118407
5-amino-4-methoxynaphthalene-2-sulfonic acid;sulfur trioxide
CID 157451766
bis(5-amino-4-hydroxy-3-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid);chromium;hydron
CID 163360292

Frequently Asked Questions

What is the IUPAC name of 2-aminobenzenesulfonic acid;2-aminobenzoic acid;3-amino-5-hydroxynaphthalene-2-sulfonic acid;4-amino-5-hydroxynaphthalene-2-sulfonic acid;6-aminonaphthalen-1-ol;7-aminonaphthalen-1-ol;4-[(4-aminophenyl)diazenyl]benzenesulfonic acid;aniline;benzene-1,3-diamine;2-methoxy-5-methylaniline;2-methoxy-4-nitroaniline;bis(naphthalen-1-amine);nonakis(sulfur trioxide)?
The IUPAC name of 2-aminobenzenesulfonic acid;2-aminobenzoic acid;3-amino-5-hydroxynaphthalene-2-sulfonic acid;4-amino-5-hydroxynaphthalene-2-sulfonic acid;6-aminonaphthalen-1-ol;7-aminonaphthalen-1-ol;4-[(4-aminophenyl)diazenyl]benzenesulfonic acid;aniline;benzene-1,3-diamine;2-methoxy-5-methylaniline;2-methoxy-4-nitroaniline;bis(naphthalen-1-amine);nonakis(sulfur trioxide) (CID 161298099) is 2-aminobenzenesulfonic acid;2-aminobenzoic acid;3-amino-5-hydroxynaphthalene-2-sulfonic acid;4-amino-5-hydroxynaphthalene-2-sulfonic acid;6-aminonaphthalen-1-ol;7-aminonaphthalen-1-ol;4-[(4-aminophenyl)diazenyl]benzenesulfonic acid;aniline;benzene-1,3-diamine;2-methoxy-5-methylaniline;2-methoxy-4-nitroaniline;bis(naphthalen-1-amine);nonakis(sulfur trioxide).
What is the SMILES notation for 2-aminobenzenesulfonic acid;2-aminobenzoic acid;3-amino-5-hydroxynaphthalene-2-sulfonic acid;4-amino-5-hydroxynaphthalene-2-sulfonic acid;6-aminonaphthalen-1-ol;7-aminonaphthalen-1-ol;4-[(4-aminophenyl)diazenyl]benzenesulfonic acid;aniline;benzene-1,3-diamine;2-methoxy-5-methylaniline;2-methoxy-4-nitroaniline;bis(naphthalen-1-amine);nonakis(sulfur trioxide)?
The canonical SMILES for 2-aminobenzenesulfonic acid;2-aminobenzoic acid;3-amino-5-hydroxynaphthalene-2-sulfonic acid;4-amino-5-hydroxynaphthalene-2-sulfonic acid;6-aminonaphthalen-1-ol;7-aminonaphthalen-1-ol;4-[(4-aminophenyl)diazenyl]benzenesulfonic acid;aniline;benzene-1,3-diamine;2-methoxy-5-methylaniline;2-methoxy-4-nitroaniline;bis(naphthalen-1-amine);nonakis(sulfur trioxide) is COc1cc([N+](=O)[O-])ccc1N.COc1ccc(C)cc1N.Nc1cc(S(=O)(=O)O)cc2cccc(O)c12.Nc1cc2c(O)cccc2cc1S(=O)(=O)O.Nc1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1.Nc1ccc2c(O)cccc2c1.Nc1ccc2cccc(O)c2c1.Nc1cccc(N)c1.Nc1cccc2ccccc12.Nc1cccc2ccccc12.Nc1ccccc1.Nc1ccccc1.Nc1ccccc1C(=O)O.Nc1ccccc1S(=O)(=O)O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.O=S(=O)=O.
What is the InChIKey of 2-aminobenzenesulfonic acid;2-aminobenzoic acid;3-amino-5-hydroxynaphthalene-2-sulfonic acid;4-amino-5-hydroxynaphthalene-2-sulfonic acid;6-aminonaphthalen-1-ol;7-aminonaphthalen-1-ol;4-[(4-aminophenyl)diazenyl]benzenesulfonic acid;aniline;benzene-1,3-diamine;2-methoxy-5-methylaniline;2-methoxy-4-nitroaniline;bis(naphthalen-1-amine);nonakis(sulfur trioxide)?
The InChIKey is VHFZRALBQOBXLA-KYZCQMFNSA-N. The full InChI is InChI=1S/C12H11N3O3S.2C10H9NO4S.2C10H9NO.2C10H9N.C8H11NO.C7H8N2O3.C7H7NO2.C6H8N2.C6H7NO3S.2C6H7N.9O3S/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)19(16,17)18;11-8-5-7-6(2-1-3-9(7)12)4-10(8)16(13,14)15;11-8-5-7(16(13,14)15)4-6-2-1-3-9(12)10(6)8;11-8-4-5-9-7(6-8)2-1-3-10(9)12;11-8-5-4-7-2-1-3-10(12)9(7)6-8;2*11-10-7-3-5-8-4-1-2-6-9(8)10;1-6-3-4-8(10-2)7(9)5-6;1-12-7-4-5(9(10)11)2-3-6(7)8;8-6-4-2-1-3-5(6)7(9)10;7-5-2-1-3-6(8)4-5;7-5-3-1-2-4-6(5)11(8,9)10;2*7-6-4-2-1-3-5-6;9*1-4(2)3/h1-8H,13H2,(H,16,17,18);2*1-5,12H,11H2,(H,13,14,15);2*1-6,12H,11H2;2*1-7H,11H2;3-5H,9H2,1-2H3;2-4H,8H2,1H3;1-4H,8H2,(H,9,10);1-4H,7-8H2;1-4H,7H2,(H,8,9,10);2*1-5H,7H2;;;;;;;;;/b15-14+;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 2-aminobenzenesulfonic acid;2-aminobenzoic acid;3-amino-5-hydroxynaphthalene-2-sulfonic acid;4-amino-5-hydroxynaphthalene-2-sulfonic acid;6-aminonaphthalen-1-ol;7-aminonaphthalen-1-ol;4-[(4-aminophenyl)diazenyl]benzenesulfonic acid;aniline;benzene-1,3-diamine;2-methoxy-5-methylaniline;2-methoxy-4-nitroaniline;bis(naphthalen-1-amine);nonakis(sulfur trioxide)?
2-aminobenzenesulfonic acid;2-aminobenzoic acid;3-amino-5-hydroxynaphthalene-2-sulfonic acid;4-amino-5-hydroxynaphthalene-2-sulfonic acid;6-aminonaphthalen-1-ol;7-aminonaphthalen-1-ol;4-[(4-aminophenyl)diazenyl]benzenesulfonic acid;aniline;benzene-1,3-diamine;2-methoxy-5-methylaniline;2-methoxy-4-nitroaniline;bis(naphthalen-1-amine);nonakis(sulfur trioxide) has a molecular weight of 2991.21 g/mol, XLogP of 13.38, 10 rotatable bonds, 24 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzenesulfonic acid;2-aminobenzoic acid;3-amino-5-hydroxynaphthalene-2-sulfonic acid;4-amino-5-hydroxynaphthalene-2-sulfonic acid;6-aminonaphthalen-1-ol;7-aminonaphthalen-1-ol;4-[(4-aminophenyl)diazenyl]benzenesulfonic acid;aniline;benzene-1,3-diamine;2-methoxy-5-methylaniline;2-methoxy-4-nitroaniline;bis(naphthalen-1-amine);nonakis(sulfur trioxide) is sourced from PubChem (CID 161298099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).