3,6-dichloro-8-[2-(dicyanomethylidene)hydrazinyl]-9H-carbazole-1-sulfonic acid

C15H7Cl2N5O3S — CID 169340588

IUPAC3,6-dichloro-8-[2-(dicyanomethylidene)hydrazinyl]-9H-carbazole-1-sulfonic acid
SMILESN#CC(C#N)=NNc1cc(Cl)cc2c1[nH]c1c(S(=O)(=O)O)cc(Cl)cc12
InChIInChI=1S/C15H7Cl2N5O3S/c16-7-1-10-11-2-8(17)4-13(26(23,24)25)15(11)20-14(10)12(3-7)22-21-9(5-18)6-19/h1-4,20,22H,(H,23,24,25)
InChIKeyLTXYUYXNLDLPOG-UHFFFAOYSA-N
MW408.23 g/mol
LogP3.69
Rot. Bonds3

About 3,6-dichloro-8-[2-(dicyanomethylidene)hydrazinyl]-9H-carbazole-1-sulfonic acid

3,6-dichloro-8-[2-(dicyanomethylidene)hydrazinyl]-9H-carbazole-1-sulfonic acid (PubChem CID 169340588) has the molecular formula C15H7Cl2N5O3S and a molecular weight of 408.23 g/mol. Its IUPAC name is 3,6-dichloro-8-[2-(dicyanomethylidene)hydrazinyl]-9H-carbazole-1-sulfonic acid.

Molecular Properties

Compound Name3,6-dichloro-8-[2-(dicyanomethylidene)hydrazinyl]-9H-carbazole-1-sulfonic acid
PubChem CID169340588
Molecular FormulaC15H7Cl2N5O3S
Molecular Weight408.23 g/mol
Exact Mass406.96
IUPAC Name3,6-dichloro-8-[2-(dicyanomethylidene)hydrazinyl]-9H-carbazole-1-sulfonic acid
SMILESN#CC(C#N)=NNc1cc(Cl)cc2c1[nH]c1c(S(=O)(=O)O)cc(Cl)cc12
InChIInChI=1S/C15H7Cl2N5O3S/c16-7-1-10-11-2-8(17)4-13(26(23,24)25)15(11)20-14(10)12(3-7)22-21-9(5-18)6-19/h1-4,20,22H,(H,23,24,25)
InChIKeyLTXYUYXNLDLPOG-UHFFFAOYSA-N
XLogP3.69
TPSA142.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.23
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

8-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3,6-dichloro-9H-carbazole-1-sulfonic acid
CID 172978935
8-[(1-amino-2-chloroethylidene)amino]-3,6-dichloro-9H-carbazole-1-sulfonic acid
CID 169368316
2-[2-(dicyanomethylidene)hydrazinyl]-5-methoxybenzenesulfonic acid
CID 169341790
2-[2-(dicyanomethylidene)hydrazinyl]-3,5-dimethylbenzenesulfonic acid
CID 169341716
3,6-dichloro-8-(1,3-dioxoisoindol-2-yl)-9H-carbazole-1-sulfonic acid
CID 168518715
2-[(3-bromo-5-chloro-2-ethoxyphenyl)hydrazinylidene]propanedinitrile
CID 169338504
7-[2-(dicyanomethylidene)hydrazinyl]naphthalene-1,3-disulfonic acid
CID 169337655
2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile
CID 169340826
2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile
CID 169341494
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
5-chloro-3-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-2-hydroxybenzenesulfonic acid
CID 169346820
[5-chloro-3-[2-(dicyanomethylidene)hydrazinyl]-2-hydroxyphenyl] benzoate
CID 169339355

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-8-[2-(dicyanomethylidene)hydrazinyl]-9H-carbazole-1-sulfonic acid?
The IUPAC name of 3,6-dichloro-8-[2-(dicyanomethylidene)hydrazinyl]-9H-carbazole-1-sulfonic acid (CID 169340588) is 3,6-dichloro-8-[2-(dicyanomethylidene)hydrazinyl]-9H-carbazole-1-sulfonic acid.
What is the SMILES notation for 3,6-dichloro-8-[2-(dicyanomethylidene)hydrazinyl]-9H-carbazole-1-sulfonic acid?
The canonical SMILES for 3,6-dichloro-8-[2-(dicyanomethylidene)hydrazinyl]-9H-carbazole-1-sulfonic acid is N#CC(C#N)=NNc1cc(Cl)cc2c1[nH]c1c(S(=O)(=O)O)cc(Cl)cc12.
What is the InChIKey of 3,6-dichloro-8-[2-(dicyanomethylidene)hydrazinyl]-9H-carbazole-1-sulfonic acid?
The InChIKey is LTXYUYXNLDLPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2N5O3S/c16-7-1-10-11-2-8(17)4-13(26(23,24)25)15(11)20-14(10)12(3-7)22-21-9(5-18)6-19/h1-4,20,22H,(H,23,24,25).
What are the key properties of 3,6-dichloro-8-[2-(dicyanomethylidene)hydrazinyl]-9H-carbazole-1-sulfonic acid?
3,6-dichloro-8-[2-(dicyanomethylidene)hydrazinyl]-9H-carbazole-1-sulfonic acid has a molecular weight of 408.23 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-8-[2-(dicyanomethylidene)hydrazinyl]-9H-carbazole-1-sulfonic acid is sourced from PubChem (CID 169340588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).