2,4-dichloro-5-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide

C13H16Cl2N2O5S2 — CID 7358811

IUPAC2,4-dichloro-5-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O5S2/c1-17(2)24(21,22)12-5-9(10(14)6-11(12)15)13(18)16-8-3-4-23(19,20)7-8/h5-6,8H,3-4,7H2,1-2H3,(H,16,18)/t8-/m1/s1
InChIKeyHUIBLIASTOWAMI-MRVPVSSYSA-N
MW415.32 g/mol
LogP1.16
Rot. Bonds4

About 2,4-dichloro-5-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide

2,4-dichloro-5-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide (PubChem CID 7358811) has the molecular formula C13H16Cl2N2O5S2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 2,4-dichloro-5-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
PubChem CID7358811
Molecular FormulaC13H16Cl2N2O5S2
Molecular Weight415.32 g/mol
Exact Mass413.99
IUPAC Name2,4-dichloro-5-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c(Cl)cc1Cl
InChIInChI=1S/C13H16Cl2N2O5S2/c1-17(2)24(21,22)12-5-9(10(14)6-11(12)15)13(18)16-8-3-4-23(19,20)7-8/h5-6,8H,3-4,7H2,1-2H3,(H,16,18)/t8-/m1/s1
InChIKeyHUIBLIASTOWAMI-MRVPVSSYSA-N
XLogP1.16
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259782
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
2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 41337965
2,4-dichloro-5-(dimethylsulfamoyl)benzamide
CID 977911
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
N-[2-(1-adamantyl)ethyl]-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
CID 4919001
2,4-dichloro-5-(cyclohexylcarbamoyl)benzenesulfonyl chloride
CID 65367352
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoate
CID 6599296
2-chloro-N-cyclopentyl-5-(dimethylsulfamoyl)benzamide
CID 26413035
2,4-dichloro-N-(2-cyclohexyl-2-phenylethyl)-5-(dimethylsulfamoyl)benzamide
CID 5306242

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The IUPAC name of 2,4-dichloro-5-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide (CID 7358811) is 2,4-dichloro-5-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The canonical SMILES for 2,4-dichloro-5-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide is CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The InChIKey is HUIBLIASTOWAMI-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O5S2/c1-17(2)24(21,22)12-5-9(10(14)6-11(12)15)13(18)16-8-3-4-23(19,20)7-8/h5-6,8H,3-4,7H2,1-2H3,(H,16,18)/t8-/m1/s1.
What are the key properties of 2,4-dichloro-5-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
2,4-dichloro-5-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide has a molecular weight of 415.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(dimethylsulfamoyl)-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide is sourced from PubChem (CID 7358811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).