2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide

C15H10ClN3O4S — CID 3827243

IUPAC2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
SMILESCOc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2c1
InChIInChI=1S/C15H10ClN3O4S/c1-23-9-3-5-12-13(7-9)24-15(17-12)18-14(20)10-4-2-8(19(21)22)6-11(10)16/h2-7H,1H3,(H,17,18,20)
InChIKeyCBRRCJFNXFCXKN-UHFFFAOYSA-N
MW363.78 g/mol
LogP4.12
Rot. Bonds4

About 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide

2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide (PubChem CID 3827243) has the molecular formula C15H10ClN3O4S and a molecular weight of 363.78 g/mol. Its IUPAC name is 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
PubChem CID3827243
Molecular FormulaC15H10ClN3O4S
Molecular Weight363.78 g/mol
Exact Mass363.01
IUPAC Name2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
SMILESCOc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2c1
InChIInChI=1S/C15H10ClN3O4S/c1-23-9-3-5-12-13(7-9)24-15(17-12)18-14(20)10-4-2-8(19(21)22)6-11(10)16/h2-7H,1H3,(H,17,18,20)
InChIKeyCBRRCJFNXFCXKN-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'}

Analyze 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide 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

N-(6-butoxy-1,3-benzothiazol-2-yl)-2-chloro-4-nitrobenzamide
CID 19211081
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 739499
2-chloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 1314620
butyl 2-[(2-chloro-4-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17127781
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-5-nitrobenzamide
CID 9046618
2,5-dimethoxy-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide
CID 16850615
2-chloro-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)-4-nitrobenzamide
CID 126059532
4,5-dimethoxy-2-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 3364584
N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide
CID 2337296
2-chloro-N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-nitrobenzamide
CID 126065626
4-methoxy-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide
CID 16850442
5-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 19629690

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide (CID 3827243) is 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide is COc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2c1.
What is the InChIKey of 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
The InChIKey is CBRRCJFNXFCXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O4S/c1-23-9-3-5-12-13(7-9)24-15(17-12)18-14(20)10-4-2-8(19(21)22)6-11(10)16/h2-7H,1H3,(H,17,18,20).
What are the key properties of 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-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 2-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide is sourced from PubChem (CID 3827243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).