2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide

C11H11Cl2NO3S — CID 7090741

IUPAC2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO3S/c12-7-1-2-9(10(13)5-7)11(15)14-8-3-4-18(16,17)6-8/h1-2,5,8H,3-4,6H2,(H,14,15)/t8-/m0/s1
InChIKeyASIPTGWPEDTTII-QMMMGPOBSA-N
MW308.19 g/mol
LogP1.91
Rot. Bonds2

About 2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide

2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide (PubChem CID 7090741) has the molecular formula C11H11Cl2NO3S and a molecular weight of 308.19 g/mol. Its IUPAC name is 2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
PubChem CID7090741
Molecular FormulaC11H11Cl2NO3S
Molecular Weight308.19 g/mol
Exact Mass306.98
IUPAC Name2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2NO3S/c12-7-1-2-9(10(13)5-7)11(15)14-8-3-4-18(16,17)6-8/h1-2,5,8H,3-4,6H2,(H,14,15)/t8-/m0/s1
InChIKeyASIPTGWPEDTTII-QMMMGPOBSA-N
XLogP1.91
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 3126628
2,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259782
4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide
CID 43176547
5-chloro-N-(1,1-dioxothiolan-3-yl)-2-(methylamino)benzamide
CID 55042392
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
2,4-dichloro-N-[(3S,4R)-4-chloro-1,1-dioxothiolan-3-yl]benzamide
CID 7300612
7-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 29133703
2-(2,4-dichlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 2853637
5-chloro-N-(1,1-dioxothian-3-yl)-2-(methylamino)benzamide
CID 63917316
5-chloro-N-(1,1-dioxothian-4-yl)-2-hydrazinylbenzamide
CID 62237430
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
CID 6595863
2,4-dichloro-5-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7358811

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide (CID 7090741) is 2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide is O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide?
The InChIKey is ASIPTGWPEDTTII-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H11Cl2NO3S/c12-7-1-2-9(10(13)5-7)11(15)14-8-3-4-18(16,17)6-8/h1-2,5,8H,3-4,6H2,(H,14,15)/t8-/m0/s1.
What are the key properties of 2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide?
2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide has a molecular weight of 308.19 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide is sourced from PubChem (CID 7090741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).