5-chloro-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide

C15H9Cl2N3O3S — CID 7192936

IUPAC5-chloro-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide
SMILESCc1ccc(Cl)c2sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])nc12
InChIInChI=1S/C15H9Cl2N3O3S/c1-7-2-4-10(17)13-12(7)18-15(24-13)19-14(21)9-6-8(16)3-5-11(9)20(22)23/h2-6H,1H3,(H,18,19,21)
InChIKeyIZILLOFKTBUSFC-UHFFFAOYSA-N
MW382.23 g/mol
LogP5.07
Rot. Bonds3

About 5-chloro-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide

5-chloro-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide (PubChem CID 7192936) has the molecular formula C15H9Cl2N3O3S and a molecular weight of 382.23 g/mol. Its IUPAC name is 5-chloro-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide
PubChem CID7192936
Molecular FormulaC15H9Cl2N3O3S
Molecular Weight382.23 g/mol
Exact Mass380.97
IUPAC Name5-chloro-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide
SMILESCc1ccc(Cl)c2sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])nc12
InChIInChI=1S/C15H9Cl2N3O3S/c1-7-2-4-10(17)13-12(7)18-15(24-13)19-14(21)9-6-8(16)3-5-11(9)20(22)23/h2-6H,1H3,(H,18,19,21)
InChIKeyIZILLOFKTBUSFC-UHFFFAOYSA-N
XLogP5.07
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.23
LogP ≤ 55.07
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

N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 7193169
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide
CID 7193011
2-[(5-chloro-2-nitrobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 3257929
4-chloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide
CID 19209985
N-benzo[e][1,3]benzothiazol-2-yl-5-chloro-2-nitrobenzamide
CID 4621765
5-chloro-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide
CID 4654719
2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 3297562
5-chloro-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-nitrobenzamide
CID 2325211
5-chloro-N-(2-methylphenyl)-2-nitrobenzamide
CID 2599162
5-chloro-N-[6-(dimethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-nitrobenzamide
CID 3629778
5-chloro-N-(4-methyl-1H-pyrazol-5-yl)-2-nitrobenzamide
CID 115629952
2-bromo-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-5-methoxybenzamide
CID 121081444

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide (CID 7192936) is 5-chloro-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide is Cc1ccc(Cl)c2sc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])nc12.
What is the InChIKey of 5-chloro-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide?
The InChIKey is IZILLOFKTBUSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O3S/c1-7-2-4-10(17)13-12(7)18-15(24-13)19-14(21)9-6-8(16)3-5-11(9)20(22)23/h2-6H,1H3,(H,18,19,21).
What are the key properties of 5-chloro-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide?
5-chloro-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide has a molecular weight of 382.23 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide is sourced from PubChem (CID 7192936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).