1-chloro-N-(2,3-dichlorophenyl)benzo[e][1]benzothiole-2-carboxamide

C19H10Cl3NOS — CID 19164355

IUPAC1-chloro-N-(2,3-dichlorophenyl)benzo[e][1]benzothiole-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1sc2ccc3ccccc3c2c1Cl
InChIInChI=1S/C19H10Cl3NOS/c20-12-6-3-7-13(16(12)21)23-19(24)18-17(22)15-11-5-2-1-4-10(11)8-9-14(15)25-18/h1-9H,(H,23,24)
InChIKeyQNYFFKBJARMLLV-UHFFFAOYSA-N
MW406.72 g/mol
LogP7.27
Rot. Bonds2

About 1-chloro-N-(2,3-dichlorophenyl)benzo[e][1]benzothiole-2-carboxamide

1-chloro-N-(2,3-dichlorophenyl)benzo[e][1]benzothiole-2-carboxamide (PubChem CID 19164355) has the molecular formula C19H10Cl3NOS and a molecular weight of 406.72 g/mol. Its IUPAC name is 1-chloro-N-(2,3-dichlorophenyl)benzo[e][1]benzothiole-2-carboxamide.

Molecular Properties

Compound Name1-chloro-N-(2,3-dichlorophenyl)benzo[e][1]benzothiole-2-carboxamide
PubChem CID19164355
Molecular FormulaC19H10Cl3NOS
Molecular Weight406.72 g/mol
Exact Mass404.95
IUPAC Name1-chloro-N-(2,3-dichlorophenyl)benzo[e][1]benzothiole-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1sc2ccc3ccccc3c2c1Cl
InChIInChI=1S/C19H10Cl3NOS/c20-12-6-3-7-13(16(12)21)23-19(24)18-17(22)15-11-5-2-1-4-10(11)8-9-14(15)25-18/h1-9H,(H,23,24)
InChIKeyQNYFFKBJARMLLV-UHFFFAOYSA-N
XLogP7.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.72
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzo[e][1]benzothiole-2-carboxamide
CID 19164339
1-chloro-N-(4-phenoxyphenyl)benzo[e][1]benzothiole-2-carboxamide
CID 19164342
3-chloro-N-phenanthren-1-yl-1-benzothiophene-2-carboxamide
CID 10000300
1-chloro-N-(4-sulfamoylphenyl)benzo[e][1]benzothiole-2-carboxamide
CID 19164356
N-(2-bromophenyl)-3,4-dichloro-1-benzothiophene-2-carboxamide
CID 994741
3,6-dichloro-N-naphthalen-1-yl-1-benzothiophene-2-carboxamide
CID 3114628
3-chloro-4-methyl-N-phenanthren-3-yl-1-benzothiophene-2-carboxamide
CID 171987140
3-chloro-4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 14872487
3,4-dichloro-N-(2-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 2933416
3-chloro-4-fluoro-N-phenanthren-3-yl-1-benzothiophene-2-carboxamide
CID 171987142
butyl 4-[(1-chlorobenzo[e][1]benzothiole-2-carbonyl)amino]benzoate
CID 19164365
1-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]benzo[e][1]benzothiole-2-carboxamide
CID 17109024

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2,3-dichlorophenyl)benzo[e][1]benzothiole-2-carboxamide?
The IUPAC name of 1-chloro-N-(2,3-dichlorophenyl)benzo[e][1]benzothiole-2-carboxamide (CID 19164355) is 1-chloro-N-(2,3-dichlorophenyl)benzo[e][1]benzothiole-2-carboxamide.
What is the SMILES notation for 1-chloro-N-(2,3-dichlorophenyl)benzo[e][1]benzothiole-2-carboxamide?
The canonical SMILES for 1-chloro-N-(2,3-dichlorophenyl)benzo[e][1]benzothiole-2-carboxamide is O=C(Nc1cccc(Cl)c1Cl)c1sc2ccc3ccccc3c2c1Cl.
What is the InChIKey of 1-chloro-N-(2,3-dichlorophenyl)benzo[e][1]benzothiole-2-carboxamide?
The InChIKey is QNYFFKBJARMLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl3NOS/c20-12-6-3-7-13(16(12)21)23-19(24)18-17(22)15-11-5-2-1-4-10(11)8-9-14(15)25-18/h1-9H,(H,23,24).
What are the key properties of 1-chloro-N-(2,3-dichlorophenyl)benzo[e][1]benzothiole-2-carboxamide?
1-chloro-N-(2,3-dichlorophenyl)benzo[e][1]benzothiole-2-carboxamide has a molecular weight of 406.72 g/mol, XLogP of 7.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2,3-dichlorophenyl)benzo[e][1]benzothiole-2-carboxamide is sourced from PubChem (CID 19164355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).