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

C11H10Cl3NO3S — CID 7300612

IUPAC2,4-dichloro-N-[(3S,4R)-4-chloro-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(N[C@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl3NO3S/c12-6-1-2-7(8(13)3-6)11(16)15-10-5-19(17,18)4-9(10)14/h1-3,9-10H,4-5H2,(H,15,16)/t9-,10-/m0/s1
InChIKeyXSTMAXIHNUBWTL-UWVGGRQHSA-N
MW342.63 g/mol
LogP2.13
Rot. Bonds2

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

2,4-dichloro-N-[(3S,4R)-4-chloro-1,1-dioxothiolan-3-yl]benzamide (PubChem CID 7300612) has the molecular formula C11H10Cl3NO3S and a molecular weight of 342.63 g/mol. Its IUPAC name is 2,4-dichloro-N-[(3S,4R)-4-chloro-1,1-dioxothiolan-3-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(3S,4R)-4-chloro-1,1-dioxothiolan-3-yl]benzamide
PubChem CID7300612
Molecular FormulaC11H10Cl3NO3S
Molecular Weight342.63 g/mol
Exact Mass340.94
IUPAC Name2,4-dichloro-N-[(3S,4R)-4-chloro-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(N[C@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl3NO3S/c12-6-1-2-7(8(13)3-6)11(16)15-10-5-19(17,18)4-9(10)14/h1-3,9-10H,4-5H2,(H,15,16)/t9-,10-/m0/s1
InChIKeyXSTMAXIHNUBWTL-UWVGGRQHSA-N
XLogP2.13
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.63
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(4-chloro-1,1-dioxothiolan-3-yl)-2-nitrobenzamide
CID 78910699
2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7090741
2,4-dichloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 3126628
N-(4-chloro-1,1-dioxothiolan-3-yl)-2,3-difluorobenzamide
CID 113290281
N-(2-aminocyclohexyl)-2,4-dichlorobenzamide
CID 54905526
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide
CID 3523885
2,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259782
N-[(3R,4S)-4-chloro-1,1-dioxothiolan-3-yl]-3,4-dimethoxybenzamide
CID 41091374
N-(4-chloro-1,1-dioxothiolan-3-yl)-4-ethylbenzamide
CID 78910767
(3R,4R)-4-(2,4-dichloroanilino)-1,1-dioxothiolan-3-ol
CID 129365592
4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide
CID 43176547

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(3S,4R)-4-chloro-1,1-dioxothiolan-3-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(3S,4R)-4-chloro-1,1-dioxothiolan-3-yl]benzamide (CID 7300612) is 2,4-dichloro-N-[(3S,4R)-4-chloro-1,1-dioxothiolan-3-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(3S,4R)-4-chloro-1,1-dioxothiolan-3-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(3S,4R)-4-chloro-1,1-dioxothiolan-3-yl]benzamide is O=C(N[C@H]1CS(=O)(=O)C[C@@H]1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(3S,4R)-4-chloro-1,1-dioxothiolan-3-yl]benzamide?
The InChIKey is XSTMAXIHNUBWTL-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H10Cl3NO3S/c12-6-1-2-7(8(13)3-6)11(16)15-10-5-19(17,18)4-9(10)14/h1-3,9-10H,4-5H2,(H,15,16)/t9-,10-/m0/s1.
What are the key properties of 2,4-dichloro-N-[(3S,4R)-4-chloro-1,1-dioxothiolan-3-yl]benzamide?
2,4-dichloro-N-[(3S,4R)-4-chloro-1,1-dioxothiolan-3-yl]benzamide has a molecular weight of 342.63 g/mol, XLogP of 2.13, 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,4R)-4-chloro-1,1-dioxothiolan-3-yl]benzamide is sourced from PubChem (CID 7300612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).