N-(3-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C17H15ClN2O4S — CID 20997161

IUPACN-(3-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1
InChIInChI=1S/C17H15ClN2O4S/c1-11-14(18)6-3-7-15(11)19-17(22)12-4-2-5-13(10-12)20-16(21)8-9-25(20,23)24/h2-7,10H,8-9H2,1H3,(H,19,22)
InChIKeyADGDXOSBTHEJCD-UHFFFAOYSA-N
MW378.84 g/mol
LogP2.97
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

N-(3-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 20997161) has the molecular formula C17H15ClN2O4S and a molecular weight of 378.84 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID20997161
Molecular FormulaC17H15ClN2O4S
Molecular Weight378.84 g/mol
Exact Mass378.04
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1
InChIInChI=1S/C17H15ClN2O4S/c1-11-14(18)6-3-7-15(11)19-17(22)12-4-2-5-13(10-12)20-16(21)8-9-25(20,23)24/h2-7,10H,8-9H2,1H3,(H,19,22)
InChIKeyADGDXOSBTHEJCD-UHFFFAOYSA-N
XLogP2.97
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997162
N-(2-bromophenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20997199
N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007406
N-(3,5-dichlorophenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007403
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007390
N-(3-chloro-2-methylphenyl)-3-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 7514543
N-(3-chloro-2-methylphenyl)-3-[(1S,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzamide
CID 6552563
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007398
N-[(1S)-1-phenylethyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 26833741
N-(3-chloro-2-methylphenyl)-3-[(1S,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]benzamide
CID 7031748
N-(3-chloro-2-methylphenyl)-3-[(1S,2R,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]benzamide
CID 124724218
N-cyclohexyl-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20898578

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 20997161) is N-(3-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is Cc1c(Cl)cccc1NC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is ADGDXOSBTHEJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4S/c1-11-14(18)6-3-7-15(11)19-17(22)12-4-2-5-13(10-12)20-16(21)8-9-25(20,23)24/h2-7,10H,8-9H2,1H3,(H,19,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-(3-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 378.84 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 20997161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).