3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]-5-nitro-1H-indol-2-ol

C18H16N6O8S — CID 4664439

IUPAC3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]-5-nitro-1H-indol-2-ol
SMILESO=[N+]([O-])c1ccc2[nH]c(O)c(/N=N/c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])c2c1
InChIInChI=1S/C18H16N6O8S/c25-18-17(13-9-11(23(26)27)1-3-14(13)19-18)21-20-15-4-2-12(10-16(15)24(28)29)33(30,31)22-5-7-32-8-6-22/h1-4,9-10,19,25H,5-8H2/b21-20+
InChIKeyZRKZTMCCNFJOJB-QZQOTICOSA-N
MW476.43 g/mol
LogP3.13
Rot. Bonds6

About 3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]-5-nitro-1H-indol-2-ol

3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]-5-nitro-1H-indol-2-ol (PubChem CID 4664439) has the molecular formula C18H16N6O8S and a molecular weight of 476.43 g/mol. Its IUPAC name is 3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]-5-nitro-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]-5-nitro-1H-indol-2-ol
PubChem CID4664439
Molecular FormulaC18H16N6O8S
Molecular Weight476.43 g/mol
Exact Mass476.08
IUPAC Name3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]-5-nitro-1H-indol-2-ol
SMILESO=[N+]([O-])c1ccc2[nH]c(O)c(/N=N/c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])c2c1
InChIInChI=1S/C18H16N6O8S/c25-18-17(13-9-11(23(26)27)1-3-14(13)19-18)21-20-15-4-2-12(10-16(15)24(28)29)33(30,31)22-5-7-32-8-6-22/h1-4,9-10,19,25H,5-8H2/b21-20+
InChIKeyZRKZTMCCNFJOJB-QZQOTICOSA-N
XLogP3.13
TPSA193.63 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]indol-2-ol
CID 135898860
3-[(4-nitro-2-piperidin-1-ylsulfonylphenyl)diazenyl]-1H-indol-2-ol
CID 137172473
3-[[2-(4-methylpiperazin-1-yl)sulfonyl-4-nitrophenyl]diazenyl]-1H-indol-2-ol
CID 137172475
3-morpholin-4-ylsulfonyl-5-nitro-1H-indole-2-carboxamide
CID 10428193
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzenesulfonamide
CID 3718763
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide
CID 4658670
4-morpholin-4-ylsulfonyl-2-nitrophenolate
CID 7062823
3-[(2-chlorophenyl)diazenyl]-2-hydroxy-N-(morpholin-4-ylmethyl)-1H-indole-5-sulfonamide
CID 135971696
4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
CID 5301615
1-N,4-N-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]benzene-1,4-dicarboxamide
CID 135486408
3-[[2-[(2R,4R)-2,4-dimethylpiperidin-1-yl]sulfonyl-4-nitrophenyl]diazenyl]-1H-indol-2-ol
CID 137172485
8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol
CID 135755077

Frequently Asked Questions

What is the IUPAC name of 3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]-5-nitro-1H-indol-2-ol?
The IUPAC name of 3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]-5-nitro-1H-indol-2-ol (CID 4664439) is 3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]-5-nitro-1H-indol-2-ol.
What is the SMILES notation for 3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]-5-nitro-1H-indol-2-ol?
The canonical SMILES for 3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]-5-nitro-1H-indol-2-ol is O=[N+]([O-])c1ccc2[nH]c(O)c(/N=N/c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])c2c1.
What is the InChIKey of 3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]-5-nitro-1H-indol-2-ol?
The InChIKey is ZRKZTMCCNFJOJB-QZQOTICOSA-N. The full InChI is InChI=1S/C18H16N6O8S/c25-18-17(13-9-11(23(26)27)1-3-14(13)19-18)21-20-15-4-2-12(10-16(15)24(28)29)33(30,31)22-5-7-32-8-6-22/h1-4,9-10,19,25H,5-8H2/b21-20+.
What are the key properties of 3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]-5-nitro-1H-indol-2-ol?
3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]-5-nitro-1H-indol-2-ol has a molecular weight of 476.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)diazenyl]-5-nitro-1H-indol-2-ol is sourced from PubChem (CID 4664439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).