2-chloro-N-[[(2R)-oxolan-2-yl]methyl]-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C15H17ClN2O5S — CID 42347700

IUPAC2-chloro-N-[[(2R)-oxolan-2-yl]methyl]-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(NC[C@H]1CCCO1)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl
InChIInChI=1S/C15H17ClN2O5S/c16-13-4-3-10(18-14(19)5-7-24(18,21)22)8-12(13)15(20)17-9-11-2-1-6-23-11/h3-4,8,11H,1-2,5-7,9H2,(H,17,20)/t11-/m1/s1
InChIKeyCALKFHVPRXRFHS-LLVKDONJSA-N
MW372.83 g/mol
LogP1.32
Rot. Bonds4

About 2-chloro-N-[[(2R)-oxolan-2-yl]methyl]-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

2-chloro-N-[[(2R)-oxolan-2-yl]methyl]-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 42347700) has the molecular formula C15H17ClN2O5S and a molecular weight of 372.83 g/mol. Its IUPAC name is 2-chloro-N-[[(2R)-oxolan-2-yl]methyl]-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[[(2R)-oxolan-2-yl]methyl]-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID42347700
Molecular FormulaC15H17ClN2O5S
Molecular Weight372.83 g/mol
Exact Mass372.05
IUPAC Name2-chloro-N-[[(2R)-oxolan-2-yl]methyl]-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(NC[C@H]1CCCO1)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl
InChIInChI=1S/C15H17ClN2O5S/c16-13-4-3-10(18-14(19)5-7-24(18,21)22)8-12(13)15(20)17-9-11-2-1-6-23-11/h3-4,8,11H,1-2,5-7,9H2,(H,17,20)/t11-/m1/s1
InChIKeyCALKFHVPRXRFHS-LLVKDONJSA-N
XLogP1.32
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[[(2R)-oxolan-2-yl]methyl]-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 42347574
N-[[(2R)-oxolan-2-yl]methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 42271699
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
4-[[4-chloro-1-(3,4-dichlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4050970
2-chloro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 2967010
2,4-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 1091764
4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 34751134
4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81225863
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]-5-thiomorpholin-4-ylsulfonylbenzamide
CID 92882534
2-bromo-4-chloro-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65368764
1-(3,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)-5-propylpyrazole-4-carboxamide
CID 42818218
5-chloro-2-iodo-N-(oxolan-2-ylmethyl)benzamide
CID 47187984

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(2R)-oxolan-2-yl]methyl]-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-[[(2R)-oxolan-2-yl]methyl]-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 42347700) is 2-chloro-N-[[(2R)-oxolan-2-yl]methyl]-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[[(2R)-oxolan-2-yl]methyl]-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-[[(2R)-oxolan-2-yl]methyl]-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is O=C(NC[C@H]1CCCO1)c1cc(N2C(=O)CCS2(=O)=O)ccc1Cl.
What is the InChIKey of 2-chloro-N-[[(2R)-oxolan-2-yl]methyl]-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is CALKFHVPRXRFHS-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17ClN2O5S/c16-13-4-3-10(18-14(19)5-7-24(18,21)22)8-12(13)15(20)17-9-11-2-1-6-23-11/h3-4,8,11H,1-2,5-7,9H2,(H,17,20)/t11-/m1/s1.
What are the key properties of 2-chloro-N-[[(2R)-oxolan-2-yl]methyl]-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
2-chloro-N-[[(2R)-oxolan-2-yl]methyl]-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 372.83 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(2R)-oxolan-2-yl]methyl]-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 42347700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).