N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-5-nitrobenzamide

C15H10ClN3O4S — CID 9046618

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C15H10ClN3O4S/c1-23-12-5-3-9(19(21)22)7-10(12)14(20)18-15-17-11-4-2-8(16)6-13(11)24-15/h2-7H,1H3,(H,17,18,20)
InChIKeySFTDDJHTJZZOGQ-UHFFFAOYSA-N
MW363.78 g/mol
LogP4.12
Rot. Bonds4

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-5-nitrobenzamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-5-nitrobenzamide (PubChem CID 9046618) has the molecular formula C15H10ClN3O4S and a molecular weight of 363.78 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-5-nitrobenzamide
PubChem CID9046618
Molecular FormulaC15H10ClN3O4S
Molecular Weight363.78 g/mol
Exact Mass363.01
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-5-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C15H10ClN3O4S/c1-23-12-5-3-9(19(21)22)7-10(12)14(20)18-15-17-11-4-2-8(16)6-13(11)24-15/h2-7H,1H3,(H,17,18,20)
InChIKeySFTDDJHTJZZOGQ-UHFFFAOYSA-N
XLogP4.12
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(6-chloro-1,3-benzothiazol-2-yl)-2-(difluoromethoxy)-5-nitrobenzamide
CID 112811856
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-5-nitrobenzamide
CID 55969851
2-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-5-nitrobenzamide
CID 4506378
N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide
CID 2337296
4,5-dimethoxy-2-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 3364584
N-(6-chloro-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-2-nitrobenzamide
CID 55414055
2,5-dimethoxy-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide
CID 16850615
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 3827243
2-methoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-5-nitrobenzamide
CID 9047280
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
2-(2,4-dichlorophenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
CID 4126350
5-methoxy-N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxopyran-2-carboxamide
CID 27378245

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-5-nitrobenzamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-5-nitrobenzamide (CID 9046618) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-5-nitrobenzamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-5-nitrobenzamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-5-nitrobenzamide is COc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-5-nitrobenzamide?
The InChIKey is SFTDDJHTJZZOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O4S/c1-23-12-5-3-9(19(21)22)7-10(12)14(20)18-15-17-11-4-2-8(16)6-13(11)24-15/h2-7H,1H3,(H,17,18,20).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-5-nitrobenzamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-5-nitrobenzamide has a molecular weight of 363.78 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-5-nitrobenzamide is sourced from PubChem (CID 9046618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).