N-(1-benzyl-3-oxo-2,1-benzothiazol-5-yl)-2-chlorobenzamide

C21H15ClN2O2S — CID 56933574

IUPACN-(1-benzyl-3-oxo-2,1-benzothiazol-5-yl)-2-chlorobenzamide
SMILESO=C(Nc1ccc2c(c1)c(=O)sn2Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C21H15ClN2O2S/c22-18-9-5-4-8-16(18)20(25)23-15-10-11-19-17(12-15)21(26)27-24(19)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,23,25)
InChIKeySJHGSLRKPGEQNB-UHFFFAOYSA-N
MW394.88 g/mol
LogP5.02
Rot. Bonds4

About N-(1-benzyl-3-oxo-2,1-benzothiazol-5-yl)-2-chlorobenzamide

N-(1-benzyl-3-oxo-2,1-benzothiazol-5-yl)-2-chlorobenzamide (PubChem CID 56933574) has the molecular formula C21H15ClN2O2S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-(1-benzyl-3-oxo-2,1-benzothiazol-5-yl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(1-benzyl-3-oxo-2,1-benzothiazol-5-yl)-2-chlorobenzamide
PubChem CID56933574
Molecular FormulaC21H15ClN2O2S
Molecular Weight394.88 g/mol
Exact Mass394.05
IUPAC NameN-(1-benzyl-3-oxo-2,1-benzothiazol-5-yl)-2-chlorobenzamide
SMILESO=C(Nc1ccc2c(c1)c(=O)sn2Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C21H15ClN2O2S/c22-18-9-5-4-8-16(18)20(25)23-15-10-11-19-17(12-15)21(26)27-24(19)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,23,25)
InChIKeySJHGSLRKPGEQNB-UHFFFAOYSA-N
XLogP5.02
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.88
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(1-ethyl-3-oxo-2,1-benzothiazol-5-yl)benzamide
CID 56933576
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N-(3-acetyl-4-chlorophenyl)-2-chlorobenzamide
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CID 5119935
2-chloro-N-[3-(3-phenylpropoxy)phenyl]benzamide
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CID 792012
(2S)-1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122038743
N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-2-chlorobenzamide
CID 3542038
1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]piperidine-2-carboxylic acid
CID 122040449
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide
CID 83282724
2-chloro-N-[3-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl]benzamide
CID 46803956

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-oxo-2,1-benzothiazol-5-yl)-2-chlorobenzamide?
The IUPAC name of N-(1-benzyl-3-oxo-2,1-benzothiazol-5-yl)-2-chlorobenzamide (CID 56933574) is N-(1-benzyl-3-oxo-2,1-benzothiazol-5-yl)-2-chlorobenzamide.
What is the SMILES notation for N-(1-benzyl-3-oxo-2,1-benzothiazol-5-yl)-2-chlorobenzamide?
The canonical SMILES for N-(1-benzyl-3-oxo-2,1-benzothiazol-5-yl)-2-chlorobenzamide is O=C(Nc1ccc2c(c1)c(=O)sn2Cc1ccccc1)c1ccccc1Cl.
What is the InChIKey of N-(1-benzyl-3-oxo-2,1-benzothiazol-5-yl)-2-chlorobenzamide?
The InChIKey is SJHGSLRKPGEQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O2S/c22-18-9-5-4-8-16(18)20(25)23-15-10-11-19-17(12-15)21(26)27-24(19)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,23,25).
What are the key properties of N-(1-benzyl-3-oxo-2,1-benzothiazol-5-yl)-2-chlorobenzamide?
N-(1-benzyl-3-oxo-2,1-benzothiazol-5-yl)-2-chlorobenzamide has a molecular weight of 394.88 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3-oxo-2,1-benzothiazol-5-yl)-2-chlorobenzamide is sourced from PubChem (CID 56933574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).