[5-amino-6-[[6-[[3-chloro-4-[[3-(formyloxymethyl)-5-hydroxy-1-(4-methoxysulfonylphenyl)pyrazol-4-yl]diazenyl]-5-methoxysulfonylphenyl]diazenyl]-5-hydroxy-1,7-bis(methoxysulfonyl)naphthalen-2-yl]diazenyl]-4-hydroxy-8-methoxysulfonyl-3-[(2-methoxysulfonyl-4-nitrophenyl)diazenyl]naphthalen-2-yl]methanesulfonic acid

C50H43ClN12O28S7 — CID 147278327

IUPAC[5-amino-6-[[6-[[3-chloro-4-[[3-(formyloxymethyl)-5-hydroxy-1-(4-methoxysulfonylphenyl)pyrazol-4-yl]diazenyl]-5-methoxysulfonylphenyl]diazenyl]-5-hydroxy-1,7-bis(methoxysulfonyl)naphthalen-2-yl]diazenyl]-4-hydroxy-8-methoxysulfonyl-3-[(2-methoxysulfonyl-4-nitrophenyl)diazenyl]naphthalen-2-yl]methanesulfonic acid
SMILESCOS(=O)(=O)c1ccc(-n2nc(COC=O)c(/N=N/c3c(Cl)cc(/N=N/c4c(S(=O)(=O)OC)cc5c(S(=O)(=O)OC)c(/N=N/c6cc(S(=O)(=O)OC)c7cc(CS(=O)(=O)O)c(/N=N/c8ccc([N+](=O)[O-])cc8S(=O)(=O)OC)c(O)c7c6N)ccc5c4O)cc3S(=O)(=O)OC)c2O)cc1
InChIInChI=1S/C50H43ClN12O28S7/c1-85-93(73,74)28-10-7-26(8-11-28)62-50(67)45(36(61-62)21-91-23-64)59-58-44-32(51)16-25(17-39(44)96(79,80)88-4)53-60-46-40(97(81,82)89-5)19-30-29(47(46)65)12-14-34(49(30)98(83,84)90-6)55-56-35-20-37(94(75,76)86-2)31-15-24(22-92(70,71)72)43(48(66)41(31)42(35)52)57-54-33-13-9-27(63(68)69)18-38(33)95(77,78)87-3/h7-20,23,65-67H,21-22,52H2,1-6H3,(H,70,71,72)/b56-55+,57-54+,59-58+,60-53+
InChIKeyCRUHJUHKEDPMNP-AKFMNBIESA-N
MW1519.87 g/mol
LogP8.17
Rot. Bonds27

About [5-amino-6-[[6-[[3-chloro-4-[[3-(formyloxymethyl)-5-hydroxy-1-(4-methoxysulfonylphenyl)pyrazol-4-yl]diazenyl]-5-methoxysulfonylphenyl]diazenyl]-5-hydroxy-1,7-bis(methoxysulfonyl)naphthalen-2-yl]diazenyl]-4-hydroxy-8-methoxysulfonyl-3-[(2-methoxysulfonyl-4-nitrophenyl)diazenyl]naphthalen-2-yl]methanesulfonic acid

[5-amino-6-[[6-[[3-chloro-4-[[3-(formyloxymethyl)-5-hydroxy-1-(4-methoxysulfonylphenyl)pyrazol-4-yl]diazenyl]-5-methoxysulfonylphenyl]diazenyl]-5-hydroxy-1,7-bis(methoxysulfonyl)naphthalen-2-yl]diazenyl]-4-hydroxy-8-methoxysulfonyl-3-[(2-methoxysulfonyl-4-nitrophenyl)diazenyl]naphthalen-2-yl]methanesulfonic acid (PubChem CID 147278327) has the molecular formula C50H43ClN12O28S7 and a molecular weight of 1519.87 g/mol. Its IUPAC name is [5-amino-6-[[6-[[3-chloro-4-[[3-(formyloxymethyl)-5-hydroxy-1-(4-methoxysulfonylphenyl)pyrazol-4-yl]diazenyl]-5-methoxysulfonylphenyl]diazenyl]-5-hydroxy-1,7-bis(methoxysulfonyl)naphthalen-2-yl]diazenyl]-4-hydroxy-8-methoxysulfonyl-3-[(2-methoxysulfonyl-4-nitrophenyl)diazenyl]naphthalen-2-yl]methanesulfonic acid.

Molecular Properties

Compound Name[5-amino-6-[[6-[[3-chloro-4-[[3-(formyloxymethyl)-5-hydroxy-1-(4-methoxysulfonylphenyl)pyrazol-4-yl]diazenyl]-5-methoxysulfonylphenyl]diazenyl]-5-hydroxy-1,7-bis(methoxysulfonyl)naphthalen-2-yl]diazenyl]-4-hydroxy-8-methoxysulfonyl-3-[(2-methoxysulfonyl-4-nitrophenyl)diazenyl]naphthalen-2-yl]methanesulfonic acid
PubChem CID147278327
Molecular FormulaC50H43ClN12O28S7
Molecular Weight1519.87 g/mol
Exact Mass1518.00
IUPAC Name[5-amino-6-[[6-[[3-chloro-4-[[3-(formyloxymethyl)-5-hydroxy-1-(4-methoxysulfonylphenyl)pyrazol-4-yl]diazenyl]-5-methoxysulfonylphenyl]diazenyl]-5-hydroxy-1,7-bis(methoxysulfonyl)naphthalen-2-yl]diazenyl]-4-hydroxy-8-methoxysulfonyl-3-[(2-methoxysulfonyl-4-nitrophenyl)diazenyl]naphthalen-2-yl]methanesulfonic acid
SMILESCOS(=O)(=O)c1ccc(-n2nc(COC=O)c(/N=N/c3c(Cl)cc(/N=N/c4c(S(=O)(=O)OC)cc5c(S(=O)(=O)OC)c(/N=N/c6cc(S(=O)(=O)OC)c7cc(CS(=O)(=O)O)c(/N=N/c8ccc([N+](=O)[O-])cc8S(=O)(=O)OC)c(O)c7c6N)ccc5c4O)cc3S(=O)(=O)OC)c2O)cc1
InChIInChI=1S/C50H43ClN12O28S7/c1-85-93(73,74)28-10-7-26(8-11-28)62-50(67)45(36(61-62)21-91-23-64)59-58-44-32(51)16-25(17-39(44)96(79,80)88-4)53-60-46-40(97(81,82)89-5)19-30-29(47(46)65)12-14-34(49(30)98(83,84)90-6)55-56-35-20-37(94(75,76)86-2)31-15-24(22-92(70,71)72)43(48(66)41(31)42(35)52)57-54-33-13-9-27(63(68)69)18-38(33)95(77,78)87-3/h7-20,23,65-67H,21-22,52H2,1-6H3,(H,70,71,72)/b56-55+,57-54+,59-58+,60-53+
InChIKeyCRUHJUHKEDPMNP-AKFMNBIESA-N
XLogP8.17
TPSA587.44 Ų
H-Bond Donors5
H-Bond Acceptors38
Rotatable Bonds27
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001519.87
LogP ≤ 58.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze [5-amino-6-[[6-[[3-chloro-4-[[3-(formyloxymethyl)-5-hydroxy-1-(4-methoxysulfonylphenyl)pyrazol-4-yl]diazenyl]-5-methoxysulfonylphenyl]diazenyl]-5-hydroxy-1,7-bis(methoxysulfonyl)naphthalen-2-yl]diazenyl]-4-hydroxy-8-methoxysulfonyl-3-[(2-methoxysulfonyl-4-nitrophenyl)diazenyl]naphthalen-2-yl]methanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-amino-6-[[6-[[4-[[3-(formyloxymethyl)-5-hydroxy-1-(4-methoxysulfonylphenyl)pyrazol-4-yl]diazenyl]-5-methoxysulfonyl-2-(sulfomethyl)phenyl]diazenyl]-5-hydroxy-1,7-bis(methoxysulfonyl)naphthalen-2-yl]diazenyl]-4-hydroxy-8-methoxysulfonyl-3-[(2-methoxysulfonyl-4-nitrophenyl)diazenyl]naphthalen-2-yl]methanesulfonic acid
CID 157473365
4-[[4-[[6-[[1-amino-8-hydroxy-7-[(4-nitro-2-sulfophenyl)diazenyl]-4,6-disulfonaphthalen-2-yl]diazenyl]-1-hydroxy-3,5-disulfonaphthalen-2-yl]diazenyl]-2,6-disulfophenyl]diazenyl]-5-hydroxy-1-(4-sulfophenyl)pyrazole-3-carboxylic acid
CID 89079885
2-[[1-amino-8-hydroxy-7-[(4-nitro-2-sulfophenyl)diazenyl]-4-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-[[5-hydroxy-3-phenyl-1-(4-sulfophenyl)pyrazol-4-yl]diazenyl]-3-sulfophenyl]diazenyl]naphthalene-1,7-disulfonic acid
CID 136646246
4-[[4-[[6-[[1-amino-8-hydroxy-7-[(4-nitro-2-sulfophenyl)diazenyl]-4-sulfo-6-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-1-hydroxy-3,5-disulfonaphthalen-2-yl]diazenyl]-2-nitro-6-sulfophenyl]diazenyl]-5-hydroxy-1-(4-sulfophenyl)pyrazole-3-carboxylic acid
CID 59264178
4-[[4-[[6-[[1-amino-8-hydroxy-7-[(4-nitro-2-sulfophenyl)diazenyl]-4-sulfonaphthalen-2-yl]diazenyl]-1-hydroxy-3,5-disulfonaphthalen-2-yl]diazenyl]-2-carboxy-6-sulfophenyl]diazenyl]-5-hydroxy-1-(4-sulfophenyl)pyrazole-3-carboxylic acid;sulfur trioxide
CID 158270988
2-[[1-amino-8-hydroxy-7-[(4-nitro-2-sulfophenyl)diazenyl]-4-sulfo-6-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-5-hydroxy-6-[[5-[[5-hydroxy-3-methyl-1-(4-sulfophenyl)pyrazol-4-yl]diazenyl]-2-methoxy-4-sulfophenyl]diazenyl]naphthalene-1,7-disulfonic acid
CID 89042029
4-[[4-[[6-[[1-amino-8-hydroxy-4,6-dimethyl-7-[(2-methyl-4-nitrophenyl)diazenyl]naphthalen-2-yl]diazenyl]-1-hydroxy-3,5-dimethylnaphthalen-2-yl]diazenyl]-2-chloro-6-methylphenyl]diazenyl]-3-methyl-1-(4-methylsulfonylphenyl)pyrazol-5-ol
CID 137006925
[4-[[4-[[6-amino-1-hydroxy-5-methoxysulfonyl-3-(sulfomethyl)naphthalen-2-yl]diazenyl]-3-methoxysulfonylphenyl]diazenyl]phenyl]methanesulfonic acid
CID 147848492
2-[[1-amino-8-hydroxy-7-[(2-nitrophenyl)diazenyl]-4-sulfonaphthalen-2-yl]diazenyl]-6-[[4-[[3-formyloxy-5-hydroxy-1-(4-sulfophenyl)pyrazol-4-yl]diazenyl]-3-sulfophenyl]diazenyl]-5-hydroxynaphthalene-1,7-disulfonic acid
CID 136646248
4-[[4-[[6-[[1-amino-7-[(2-carboxy-5-nitrophenyl)diazenyl]-8-hydroxy-4-sulfo-6-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]-1-hydroxy-3,5-disulfonaphthalen-2-yl]diazenyl]-2-sulfophenyl]diazenyl]-1-(2-chloro-6-methyl-4-sulfophenyl)-5-hydroxypyrazole-3-carboxylic acid
CID 59264164
2-[[6-[[1-amino-8-hydroxy-7-[(4-nitro-2-sulfophenyl)diazenyl]-4,6-disulfonaphthalen-2-yl]diazenyl]-1-hydroxy-3,5-disulfonaphthalen-2-yl]diazenyl]-5-nitrobenzoic acid
CID 136597510
2-[[1-amino-8-hydroxy-7-[(4-nitro-2-sulfophenyl)diazenyl]-4-sulfonaphthalen-2-yl]diazenyl]-5-hydroxy-6-[[4-[(3-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-1,7-disulfonic acid
CID 136932796

Frequently Asked Questions

What is the IUPAC name of [5-amino-6-[[6-[[3-chloro-4-[[3-(formyloxymethyl)-5-hydroxy-1-(4-methoxysulfonylphenyl)pyrazol-4-yl]diazenyl]-5-methoxysulfonylphenyl]diazenyl]-5-hydroxy-1,7-bis(methoxysulfonyl)naphthalen-2-yl]diazenyl]-4-hydroxy-8-methoxysulfonyl-3-[(2-methoxysulfonyl-4-nitrophenyl)diazenyl]naphthalen-2-yl]methanesulfonic acid?
The IUPAC name of [5-amino-6-[[6-[[3-chloro-4-[[3-(formyloxymethyl)-5-hydroxy-1-(4-methoxysulfonylphenyl)pyrazol-4-yl]diazenyl]-5-methoxysulfonylphenyl]diazenyl]-5-hydroxy-1,7-bis(methoxysulfonyl)naphthalen-2-yl]diazenyl]-4-hydroxy-8-methoxysulfonyl-3-[(2-methoxysulfonyl-4-nitrophenyl)diazenyl]naphthalen-2-yl]methanesulfonic acid (CID 147278327) is [5-amino-6-[[6-[[3-chloro-4-[[3-(formyloxymethyl)-5-hydroxy-1-(4-methoxysulfonylphenyl)pyrazol-4-yl]diazenyl]-5-methoxysulfonylphenyl]diazenyl]-5-hydroxy-1,7-bis(methoxysulfonyl)naphthalen-2-yl]diazenyl]-4-hydroxy-8-methoxysulfonyl-3-[(2-methoxysulfonyl-4-nitrophenyl)diazenyl]naphthalen-2-yl]methanesulfonic acid.
What is the SMILES notation for [5-amino-6-[[6-[[3-chloro-4-[[3-(formyloxymethyl)-5-hydroxy-1-(4-methoxysulfonylphenyl)pyrazol-4-yl]diazenyl]-5-methoxysulfonylphenyl]diazenyl]-5-hydroxy-1,7-bis(methoxysulfonyl)naphthalen-2-yl]diazenyl]-4-hydroxy-8-methoxysulfonyl-3-[(2-methoxysulfonyl-4-nitrophenyl)diazenyl]naphthalen-2-yl]methanesulfonic acid?
The canonical SMILES for [5-amino-6-[[6-[[3-chloro-4-[[3-(formyloxymethyl)-5-hydroxy-1-(4-methoxysulfonylphenyl)pyrazol-4-yl]diazenyl]-5-methoxysulfonylphenyl]diazenyl]-5-hydroxy-1,7-bis(methoxysulfonyl)naphthalen-2-yl]diazenyl]-4-hydroxy-8-methoxysulfonyl-3-[(2-methoxysulfonyl-4-nitrophenyl)diazenyl]naphthalen-2-yl]methanesulfonic acid is COS(=O)(=O)c1ccc(-n2nc(COC=O)c(/N=N/c3c(Cl)cc(/N=N/c4c(S(=O)(=O)OC)cc5c(S(=O)(=O)OC)c(/N=N/c6cc(S(=O)(=O)OC)c7cc(CS(=O)(=O)O)c(/N=N/c8ccc([N+](=O)[O-])cc8S(=O)(=O)OC)c(O)c7c6N)ccc5c4O)cc3S(=O)(=O)OC)c2O)cc1.
What is the InChIKey of [5-amino-6-[[6-[[3-chloro-4-[[3-(formyloxymethyl)-5-hydroxy-1-(4-methoxysulfonylphenyl)pyrazol-4-yl]diazenyl]-5-methoxysulfonylphenyl]diazenyl]-5-hydroxy-1,7-bis(methoxysulfonyl)naphthalen-2-yl]diazenyl]-4-hydroxy-8-methoxysulfonyl-3-[(2-methoxysulfonyl-4-nitrophenyl)diazenyl]naphthalen-2-yl]methanesulfonic acid?
The InChIKey is CRUHJUHKEDPMNP-AKFMNBIESA-N. The full InChI is InChI=1S/C50H43ClN12O28S7/c1-85-93(73,74)28-10-7-26(8-11-28)62-50(67)45(36(61-62)21-91-23-64)59-58-44-32(51)16-25(17-39(44)96(79,80)88-4)53-60-46-40(97(81,82)89-5)19-30-29(47(46)65)12-14-34(49(30)98(83,84)90-6)55-56-35-20-37(94(75,76)86-2)31-15-24(22-92(70,71)72)43(48(66)41(31)42(35)52)57-54-33-13-9-27(63(68)69)18-38(33)95(77,78)87-3/h7-20,23,65-67H,21-22,52H2,1-6H3,(H,70,71,72)/b56-55+,57-54+,59-58+,60-53+.
What are the key properties of [5-amino-6-[[6-[[3-chloro-4-[[3-(formyloxymethyl)-5-hydroxy-1-(4-methoxysulfonylphenyl)pyrazol-4-yl]diazenyl]-5-methoxysulfonylphenyl]diazenyl]-5-hydroxy-1,7-bis(methoxysulfonyl)naphthalen-2-yl]diazenyl]-4-hydroxy-8-methoxysulfonyl-3-[(2-methoxysulfonyl-4-nitrophenyl)diazenyl]naphthalen-2-yl]methanesulfonic acid?
[5-amino-6-[[6-[[3-chloro-4-[[3-(formyloxymethyl)-5-hydroxy-1-(4-methoxysulfonylphenyl)pyrazol-4-yl]diazenyl]-5-methoxysulfonylphenyl]diazenyl]-5-hydroxy-1,7-bis(methoxysulfonyl)naphthalen-2-yl]diazenyl]-4-hydroxy-8-methoxysulfonyl-3-[(2-methoxysulfonyl-4-nitrophenyl)diazenyl]naphthalen-2-yl]methanesulfonic acid has a molecular weight of 1519.87 g/mol, XLogP of 8.17, 27 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-6-[[6-[[3-chloro-4-[[3-(formyloxymethyl)-5-hydroxy-1-(4-methoxysulfonylphenyl)pyrazol-4-yl]diazenyl]-5-methoxysulfonylphenyl]diazenyl]-5-hydroxy-1,7-bis(methoxysulfonyl)naphthalen-2-yl]diazenyl]-4-hydroxy-8-methoxysulfonyl-3-[(2-methoxysulfonyl-4-nitrophenyl)diazenyl]naphthalen-2-yl]methanesulfonic acid is sourced from PubChem (CID 147278327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).