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

C14H10Cl3N3O3S — CID 169368316

IUPAC8-[(1-amino-2-chloroethylidene)amino]-3,6-dichloro-9H-carbazole-1-sulfonic acid
SMILESN/C(CCl)=N/c1cc(Cl)cc2c1[nH]c1c(S(=O)(=O)O)cc(Cl)cc12
InChIInChI=1S/C14H10Cl3N3O3S/c15-5-12(18)19-10-3-6(16)1-8-9-2-7(17)4-11(24(21,22)23)14(9)20-13(8)10/h1-4,20H,5H2,(H2,18,19)(H,21,22,23)
InChIKeyPZITUCRCIVXZRY-UHFFFAOYSA-N
MW406.68 g/mol
LogP4.10
Rot. Bonds3

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

8-[(1-amino-2-chloroethylidene)amino]-3,6-dichloro-9H-carbazole-1-sulfonic acid (PubChem CID 169368316) has the molecular formula C14H10Cl3N3O3S and a molecular weight of 406.68 g/mol. Its IUPAC name is 8-[(1-amino-2-chloroethylidene)amino]-3,6-dichloro-9H-carbazole-1-sulfonic acid.

Molecular Properties

Compound Name8-[(1-amino-2-chloroethylidene)amino]-3,6-dichloro-9H-carbazole-1-sulfonic acid
PubChem CID169368316
Molecular FormulaC14H10Cl3N3O3S
Molecular Weight406.68 g/mol
Exact Mass404.95
IUPAC Name8-[(1-amino-2-chloroethylidene)amino]-3,6-dichloro-9H-carbazole-1-sulfonic acid
SMILESN/C(CCl)=N/c1cc(Cl)cc2c1[nH]c1c(S(=O)(=O)O)cc(Cl)cc12
InChIInChI=1S/C14H10Cl3N3O3S/c15-5-12(18)19-10-3-6(16)1-8-9-2-7(17)4-11(24(21,22)23)14(9)20-13(8)10/h1-4,20H,5H2,(H2,18,19)(H,21,22,23)
InChIKeyPZITUCRCIVXZRY-UHFFFAOYSA-N
XLogP4.10
TPSA108.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.68
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 8-[(1-amino-2-chloroethylidene)amino]-3,6-dichloro-9H-carbazole-1-sulfonic 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

2-chloro-N'-(4-chloro-2-sulfamoylphenyl)ethanimidamide
CID 169366374
3,6-dichloro-8-[2-(dicyanomethylidene)hydrazinyl]-9H-carbazole-1-sulfonic acid
CID 169340588
8-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-3,6-dichloro-9H-carbazole-1-sulfonic acid
CID 172978935
3,6-dichloro-8-(1,3-dioxoisoindol-2-yl)-9H-carbazole-1-sulfonic acid
CID 168518715
6-chloro-2-sulfanylidene-3H-1,3-benzoxazole-4-sulfonic acid
CID 19878881
2-chloro-N'-(4-chloro-2,6-difluorophenyl)ethanimidamide
CID 169365262
2-chloro-N'-[5-chloro-4-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]ethanimidamide
CID 169365306
2-chloro-N'-(2,6-dichloro-4-sulfamoylphenyl)ethanimidamide
CID 169369481
N'-(5-bromo-2-fluoro-4-methylsulfonylphenyl)-2-chloroethanimidamide
CID 169368286
2-chloro-N'-(5-chloro-2,4-difluorophenyl)ethanimidamide
CID 169365117
3,5-dichloro-2-[(2,4-dichloro-6-sulfophenyl)methyl]benzenesulfonic acid
CID 123208579
2-chloro-N'-(2,3,4-trichlorophenyl)ethanimidamide
CID 169365543

Frequently Asked Questions

What is the IUPAC name of 8-[(1-amino-2-chloroethylidene)amino]-3,6-dichloro-9H-carbazole-1-sulfonic acid?
The IUPAC name of 8-[(1-amino-2-chloroethylidene)amino]-3,6-dichloro-9H-carbazole-1-sulfonic acid (CID 169368316) is 8-[(1-amino-2-chloroethylidene)amino]-3,6-dichloro-9H-carbazole-1-sulfonic acid.
What is the SMILES notation for 8-[(1-amino-2-chloroethylidene)amino]-3,6-dichloro-9H-carbazole-1-sulfonic acid?
The canonical SMILES for 8-[(1-amino-2-chloroethylidene)amino]-3,6-dichloro-9H-carbazole-1-sulfonic acid is N/C(CCl)=N/c1cc(Cl)cc2c1[nH]c1c(S(=O)(=O)O)cc(Cl)cc12.
What is the InChIKey of 8-[(1-amino-2-chloroethylidene)amino]-3,6-dichloro-9H-carbazole-1-sulfonic acid?
The InChIKey is PZITUCRCIVXZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N3O3S/c15-5-12(18)19-10-3-6(16)1-8-9-2-7(17)4-11(24(21,22)23)14(9)20-13(8)10/h1-4,20H,5H2,(H2,18,19)(H,21,22,23).
What are the key properties of 8-[(1-amino-2-chloroethylidene)amino]-3,6-dichloro-9H-carbazole-1-sulfonic acid?
8-[(1-amino-2-chloroethylidene)amino]-3,6-dichloro-9H-carbazole-1-sulfonic acid has a molecular weight of 406.68 g/mol, XLogP of 4.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-amino-2-chloroethylidene)amino]-3,6-dichloro-9H-carbazole-1-sulfonic acid is sourced from PubChem (CID 169368316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).