8-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3,6-dichloro-9H-carbazole-1-sulfonic acid

C15H10Cl2N6O3S — CID 172978935

IUPAC8-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3,6-dichloro-9H-carbazole-1-sulfonic acid
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cc(Cl)cc2c1[nH]c1c(S(=O)(=O)O)cc(Cl)cc12
InChIInChI=1S/C15H10Cl2N6O3S/c16-6-1-8-9-2-7(17)4-12(27(24,25)26)14(9)21-13(8)10(3-6)22-23-11(5-18)15(19)20/h1-4,21-22H,(H3,19,20)(H,24,25,26)/b23-11+
InChIKeyMAOWZBXBSSMCLT-FOKLQQMPSA-N
MW425.26 g/mol
LogP3.10
Rot. Bonds4

About 8-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3,6-dichloro-9H-carbazole-1-sulfonic acid

8-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3,6-dichloro-9H-carbazole-1-sulfonic acid (PubChem CID 172978935) has the molecular formula C15H10Cl2N6O3S and a molecular weight of 425.26 g/mol. Its IUPAC name is 8-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3,6-dichloro-9H-carbazole-1-sulfonic acid.

Molecular Properties

Compound Name8-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3,6-dichloro-9H-carbazole-1-sulfonic acid
PubChem CID172978935
Molecular FormulaC15H10Cl2N6O3S
Molecular Weight425.26 g/mol
Exact Mass423.99
IUPAC Name8-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3,6-dichloro-9H-carbazole-1-sulfonic acid
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cc(Cl)cc2c1[nH]c1c(S(=O)(=O)O)cc(Cl)cc12
InChIInChI=1S/C15H10Cl2N6O3S/c16-6-1-8-9-2-7(17)4-12(27(24,25)26)14(9)21-13(8)10(3-6)22-23-11(5-18)15(19)20/h1-4,21-22H,(H3,19,20)(H,24,25,26)/b23-11+
InChIKeyMAOWZBXBSSMCLT-FOKLQQMPSA-N
XLogP3.10
TPSA168.21 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.26
LogP ≤ 53.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

3,6-dichloro-8-[2-(dicyanomethylidene)hydrazinyl]-9H-carbazole-1-sulfonic acid
CID 169340588
(1Z)-2-amino-N-(5-chloro-2,3-difluoroanilino)-2-iminoethanimidoyl cyanide
CID 172980243
(1Z)-N-(2-acetamido-5-chloroanilino)-2-amino-2-iminoethanimidoyl cyanide
CID 172976589
4-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3-hydroxynaphthalene-1-sulfonic acid
CID 172980133
(1Z)-2-amino-N-(2,4-dichloro-6-methylanilino)-2-iminoethanimidoyl cyanide
CID 172931915
(1Z)-2-amino-N-(5-chloro-2,4-difluoroanilino)-2-iminoethanimidoyl cyanide
CID 172931806
(1Z)-2-amino-N-(4-tert-butyl-2-chloroanilino)-2-iminoethanimidoyl cyanide
CID 172976470
(1Z)-2-amino-N-(2-chloro-5-cyanoanilino)-2-iminoethanimidoyl cyanide
CID 172931799
(1Z)-2-amino-N-[2,5-dichloro-4-(dibutylsulfamoyl)anilino]-2-iminoethanimidoyl cyanide
CID 172978902
(1Z)-2-amino-2-imino-N-[[6-(methylsulfamoyl)-2,3-dihydro-1,4-benzodioxin-7-yl]amino]ethanimidoyl cyanide
CID 172977852
(1Z)-2-amino-N-(2-chloro-4-nitroanilino)-2-iminoethanimidoyl cyanide
CID 172931563
(1Z)-2-amino-N-(3-chloro-4-cyanoanilino)-2-iminoethanimidoyl cyanide
CID 172980323

Frequently Asked Questions

What is the IUPAC name of 8-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3,6-dichloro-9H-carbazole-1-sulfonic acid?
The IUPAC name of 8-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3,6-dichloro-9H-carbazole-1-sulfonic acid (CID 172978935) is 8-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3,6-dichloro-9H-carbazole-1-sulfonic acid.
What is the SMILES notation for 8-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3,6-dichloro-9H-carbazole-1-sulfonic acid?
The canonical SMILES for 8-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3,6-dichloro-9H-carbazole-1-sulfonic acid is [H]/N=C(N)/C(C#N)=N/Nc1cc(Cl)cc2c1[nH]c1c(S(=O)(=O)O)cc(Cl)cc12.
What is the InChIKey of 8-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3,6-dichloro-9H-carbazole-1-sulfonic acid?
The InChIKey is MAOWZBXBSSMCLT-FOKLQQMPSA-N. The full InChI is InChI=1S/C15H10Cl2N6O3S/c16-6-1-8-9-2-7(17)4-12(27(24,25)26)14(9)21-13(8)10(3-6)22-23-11(5-18)15(19)20/h1-4,21-22H,(H3,19,20)(H,24,25,26)/b23-11+.
What are the key properties of 8-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3,6-dichloro-9H-carbazole-1-sulfonic acid?
8-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3,6-dichloro-9H-carbazole-1-sulfonic acid has a molecular weight of 425.26 g/mol, XLogP of 3.10, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3,6-dichloro-9H-carbazole-1-sulfonic acid is sourced from PubChem (CID 172978935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).