2-chloro-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C16H13ClN2O4S — CID 20996957

IUPAC2-chloro-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccccc1)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl
InChIInChI=1S/C16H13ClN2O4S/c17-14-10-12(19-15(20)8-9-24(19,22)23)6-7-13(14)16(21)18-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,21)
InChIKeyOWKCADUYXXNVMP-UHFFFAOYSA-N
MW364.81 g/mol
LogP2.66
Rot. Bonds3

About 2-chloro-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

2-chloro-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 20996957) has the molecular formula C16H13ClN2O4S and a molecular weight of 364.81 g/mol. Its IUPAC name is 2-chloro-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID20996957
Molecular FormulaC16H13ClN2O4S
Molecular Weight364.81 g/mol
Exact Mass364.03
IUPAC Name2-chloro-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1ccccc1)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl
InChIInChI=1S/C16H13ClN2O4S/c17-14-10-12(19-15(20)8-9-24(19,22)23)6-7-13(14)16(21)18-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,21)
InChIKeyOWKCADUYXXNVMP-UHFFFAOYSA-N
XLogP2.66
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007163
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007173
2-chloro-N-(2-methoxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996983
N-(2-tert-butylphenyl)-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996979
2-chloro-N-(2-propan-2-yloxyphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996989
2-chloro-N-(3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996951
N-butyl-2-chloro-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007117
2-chloro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007232
2-chloro-N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007121
2-chloro-N-ethyl-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996972
2-chloro-N-(3-propan-2-yloxypropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007137
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007177

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 20996957) is 2-chloro-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1ccccc1)c1ccc(N2C(=O)CCS2(=O)=O)cc1Cl.
What is the InChIKey of 2-chloro-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is OWKCADUYXXNVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O4S/c17-14-10-12(19-15(20)8-9-24(19,22)23)6-7-13(14)16(21)18-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,21).
What are the key properties of 2-chloro-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
2-chloro-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 364.81 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-phenyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 20996957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).