3,4-dichloro-N-(2-nitrophenyl)-1-benzothiophene-2-carboxamide

C15H8Cl2N2O3S — CID 2933416

IUPAC3,4-dichloro-N-(2-nitrophenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1sc2cccc(Cl)c2c1Cl
InChIInChI=1S/C15H8Cl2N2O3S/c16-8-4-3-7-11-12(8)13(17)14(23-11)15(20)18-9-5-1-2-6-10(9)19(21)22/h1-7H,(H,18,20)
InChIKeyCZWOUHUDYMHOCP-UHFFFAOYSA-N
MW367.21 g/mol
LogP5.37
Rot. Bonds3

About 3,4-dichloro-N-(2-nitrophenyl)-1-benzothiophene-2-carboxamide

3,4-dichloro-N-(2-nitrophenyl)-1-benzothiophene-2-carboxamide (PubChem CID 2933416) has the molecular formula C15H8Cl2N2O3S and a molecular weight of 367.21 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-nitrophenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-nitrophenyl)-1-benzothiophene-2-carboxamide
PubChem CID2933416
Molecular FormulaC15H8Cl2N2O3S
Molecular Weight367.21 g/mol
Exact Mass365.96
IUPAC Name3,4-dichloro-N-(2-nitrophenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])c1sc2cccc(Cl)c2c1Cl
InChIInChI=1S/C15H8Cl2N2O3S/c16-8-4-3-7-11-12(8)13(17)14(23-11)15(20)18-9-5-1-2-6-10(9)19(21)22/h1-7H,(H,18,20)
InChIKeyCZWOUHUDYMHOCP-UHFFFAOYSA-N
XLogP5.37
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.21
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-3,4-dichloro-1-benzothiophene-2-carboxamide
CID 994741
3,4-dichloro-N-(4-methyl-3-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 1124678
3,4-dichloro-N-(2,4-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 987829
3,4-dichloro-N-(3-iodophenyl)-1-benzothiophene-2-carboxamide
CID 1124680
1-chloro-N-(2,3-dichlorophenyl)benzo[e][1]benzothiole-2-carboxamide
CID 19164355
3-chloro-N-(4-methoxy-2-nitrophenyl)-1-benzothiophene-2-carboxamide
CID 607020
3,4-dichloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide
CID 896662
1-[(3,5-dichloro-1-benzothiophene-2-carbonyl)amino]-3-(2-nitrophenyl)thiourea
CID 11189914
3-chloro-7-nitro-N-(2-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide
CID 1302365
N-(2-chlorophenyl)-4-fluoro-3-methyl-1-benzothiophene-2-carboxamide
CID 8776857
3,4-dichloro-N-(tetrazolidin-5-yl)-1-benzothiophene-2-carboxamide
CID 85498486
3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide
CID 60651008

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-nitrophenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,4-dichloro-N-(2-nitrophenyl)-1-benzothiophene-2-carboxamide (CID 2933416) is 3,4-dichloro-N-(2-nitrophenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,4-dichloro-N-(2-nitrophenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,4-dichloro-N-(2-nitrophenyl)-1-benzothiophene-2-carboxamide is O=C(Nc1ccccc1[N+](=O)[O-])c1sc2cccc(Cl)c2c1Cl.
What is the InChIKey of 3,4-dichloro-N-(2-nitrophenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is CZWOUHUDYMHOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O3S/c16-8-4-3-7-11-12(8)13(17)14(23-11)15(20)18-9-5-1-2-6-10(9)19(21)22/h1-7H,(H,18,20).
What are the key properties of 3,4-dichloro-N-(2-nitrophenyl)-1-benzothiophene-2-carboxamide?
3,4-dichloro-N-(2-nitrophenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 367.21 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-nitrophenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2933416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).