5-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide

C18H10ClN3O3S — CID 19629690

IUPAC5-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc2c(Cl)cccc12
InChIInChI=1S/C18H10ClN3O3S/c19-14-6-2-3-11-12(14)4-1-5-13(11)17(23)21-18-20-15-8-7-10(22(24)25)9-16(15)26-18/h1-9H,(H,20,21,23)
InChIKeyBWFYTZRILZSFLI-UHFFFAOYSA-N
MW383.82 g/mol
LogP5.26
Rot. Bonds3

About 5-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide

5-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide (PubChem CID 19629690) has the molecular formula C18H10ClN3O3S and a molecular weight of 383.82 g/mol. Its IUPAC name is 5-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
PubChem CID19629690
Molecular FormulaC18H10ClN3O3S
Molecular Weight383.82 g/mol
Exact Mass383.01
IUPAC Name5-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc2c(Cl)cccc12
InChIInChI=1S/C18H10ClN3O3S/c19-14-6-2-3-11-12(14)4-1-5-13(11)17(23)21-18-20-15-8-7-10(22(24)25)9-16(15)26-18/h1-9H,(H,20,21,23)
InChIKeyBWFYTZRILZSFLI-UHFFFAOYSA-N
XLogP5.26
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.82
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 7329698
2-chloro-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide
CID 16850432
2-chloro-6-fluoro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 43952178
N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide
CID 2337296
2-(2,4-dichlorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 5176488
N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 4113143
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 3827243
2-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-5-nitrobenzamide
CID 4506378
3-benzamido-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 1308942
N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 693354
2-chloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 1314620
4,5-dimethoxy-2-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 3364584

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
The IUPAC name of 5-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide (CID 19629690) is 5-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 5-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for 5-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide is O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc2c(Cl)cccc12.
What is the InChIKey of 5-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
The InChIKey is BWFYTZRILZSFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClN3O3S/c19-14-6-2-3-11-12(14)4-1-5-13(11)17(23)21-18-20-15-8-7-10(22(24)25)9-16(15)26-18/h1-9H,(H,20,21,23).
What are the key properties of 5-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
5-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide has a molecular weight of 383.82 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 19629690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).