2-[(6-acetamido-2-formamido-3-pyridinyl)diazenyl]benzene-1,4-disulfonic acid;ethane

C16H19N5O8S2 — CID 143444200

IUPAC2-[(6-acetamido-2-formamido-3-pyridinyl)diazenyl]benzene-1,4-disulfonic acid;ethane
SMILESCC.CC(=O)Nc1ccc(/N=N/c2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)c(NC=O)n1
InChIInChI=1S/C14H13N5O8S2.C2H6/c1-8(21)16-13-5-3-10(14(17-13)15-7-20)18-19-11-6-9(28(22,23)24)2-4-12(11)29(25,26)27;1-2/h2-7H,1H3,(H,22,23,24)(H,25,26,27)(H2,15,16,17,20,21);1-2H3/b19-18+;
InChIKeyRUBTWYSVALRTBN-LTRPLHCISA-N
MW473.49 g/mol
LogP2.54
Rot. Bonds7

About 2-[(6-acetamido-2-formamido-3-pyridinyl)diazenyl]benzene-1,4-disulfonic acid;ethane

2-[(6-acetamido-2-formamido-3-pyridinyl)diazenyl]benzene-1,4-disulfonic acid;ethane (PubChem CID 143444200) has the molecular formula C16H19N5O8S2 and a molecular weight of 473.49 g/mol. Its IUPAC name is 2-[(6-acetamido-2-formamido-3-pyridinyl)diazenyl]benzene-1,4-disulfonic acid;ethane.

Molecular Properties

Compound Name2-[(6-acetamido-2-formamido-3-pyridinyl)diazenyl]benzene-1,4-disulfonic acid;ethane
PubChem CID143444200
Molecular FormulaC16H19N5O8S2
Molecular Weight473.49 g/mol
Exact Mass473.07
IUPAC Name2-[(6-acetamido-2-formamido-3-pyridinyl)diazenyl]benzene-1,4-disulfonic acid;ethane
SMILESCC.CC(=O)Nc1ccc(/N=N/c2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)c(NC=O)n1
InChIInChI=1S/C14H13N5O8S2.C2H6/c1-8(21)16-13-5-3-10(14(17-13)15-7-20)18-19-11-6-9(28(22,23)24)2-4-12(11)29(25,26)27;1-2/h2-7H,1H3,(H,22,23,24)(H,25,26,27)(H2,15,16,17,20,21);1-2H3/b19-18+;
InChIKeyRUBTWYSVALRTBN-LTRPLHCISA-N
XLogP2.54
TPSA204.55 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-[(6-acetamido-2-formamido-3-pyridinyl)diazenyl]benzene-1,4-disulfonic acid;ethane 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

2-[[2-amino-6-[[4-[[6-amino-5-[(2,5-disulfophenyl)diazenyl]-2-pyridinyl]amino]-6-hydroxy-1,3,5-triazin-2-yl]amino]-3-pyridinyl]diazenyl]benzene-1,4-disulfonic acid
CID 136607811
6-acetamidopyridine-3-sulfonic acid
CID 3292774
2-[(1-methoxy-3-methoxycarbonyl-1,4-dioxopentan-3-yl)diazenyl]benzene-1,4-disulfonic acid
CID 101143095
2-[[4-[(4-methylphenyl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]benzene-1,4-disulfonic acid
CID 89345714
2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulfonaphthalen-1-yl]diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]benzene-1,4-disulfonic acid
CID 11970962
2-[[2,5-dimethyl-4-[(4-methyl-5-sulfonaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzene-1,4-disulfonic acid
CID 89165069
7-[[2-acetamido-4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid
CID 19734881
3-[[2-acetamido-4-[[4-chloro-6-(2,5-disulfoanilino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,5-disulfonic acid
CID 132582656
2-[5-[[5-amino-4-methyl-2,6-bis(4-sulfoanilino)-3-pyridinyl]diazenyl]-4-(carboxymethoxy)-2-[(2,5-disulfophenyl)diazenyl]phenoxy]acetic acid
CID 88966397
4-methoxy-3-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]benzenesulfonic acid
CID 89270814
5-acetamido-2-[[2-(2,4-disulfophenyl)-9-hydroxy-7-sulfo-3H-benzo[e]benzimidazol-8-yl]diazenyl]benzoic acid
CID 135982249
5-acetamido-2-[[1,8-dihydroxy-3-sulfo-7-[[2-sulfo-5-(trioxidanylsulfanyl)phenyl]diazenyl]-6-(trioxidanylsulfanyl)naphthalen-2-yl]diazenyl]benzoic acid;copper
CID 135980680

Frequently Asked Questions

What is the IUPAC name of 2-[(6-acetamido-2-formamido-3-pyridinyl)diazenyl]benzene-1,4-disulfonic acid;ethane?
The IUPAC name of 2-[(6-acetamido-2-formamido-3-pyridinyl)diazenyl]benzene-1,4-disulfonic acid;ethane (CID 143444200) is 2-[(6-acetamido-2-formamido-3-pyridinyl)diazenyl]benzene-1,4-disulfonic acid;ethane.
What is the SMILES notation for 2-[(6-acetamido-2-formamido-3-pyridinyl)diazenyl]benzene-1,4-disulfonic acid;ethane?
The canonical SMILES for 2-[(6-acetamido-2-formamido-3-pyridinyl)diazenyl]benzene-1,4-disulfonic acid;ethane is CC.CC(=O)Nc1ccc(/N=N/c2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)c(NC=O)n1.
What is the InChIKey of 2-[(6-acetamido-2-formamido-3-pyridinyl)diazenyl]benzene-1,4-disulfonic acid;ethane?
The InChIKey is RUBTWYSVALRTBN-LTRPLHCISA-N. The full InChI is InChI=1S/C14H13N5O8S2.C2H6/c1-8(21)16-13-5-3-10(14(17-13)15-7-20)18-19-11-6-9(28(22,23)24)2-4-12(11)29(25,26)27;1-2/h2-7H,1H3,(H,22,23,24)(H,25,26,27)(H2,15,16,17,20,21);1-2H3/b19-18+;.
What are the key properties of 2-[(6-acetamido-2-formamido-3-pyridinyl)diazenyl]benzene-1,4-disulfonic acid;ethane?
2-[(6-acetamido-2-formamido-3-pyridinyl)diazenyl]benzene-1,4-disulfonic acid;ethane has a molecular weight of 473.49 g/mol, XLogP of 2.54, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-acetamido-2-formamido-3-pyridinyl)diazenyl]benzene-1,4-disulfonic acid;ethane is sourced from PubChem (CID 143444200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).