4-chloro-N-[(4-chlorophenyl)sulfonimidoyl]benzamide

C13H10Cl2N2O2S — CID 155806628

IUPAC4-chloro-N-[(4-chlorophenyl)sulfonimidoyl]benzamide
SMILES[H]N=S(=O)(NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2N2O2S/c14-10-3-1-9(2-4-10)13(18)17-20(16,19)12-7-5-11(15)6-8-12/h1-8H,(H2,16,17,18,19)
InChIKeyCFIRYFDFDPBCCW-UHFFFAOYSA-N
MW329.21 g/mol
LogP3.74
Rot. Bonds3

About 4-chloro-N-[(4-chlorophenyl)sulfonimidoyl]benzamide

4-chloro-N-[(4-chlorophenyl)sulfonimidoyl]benzamide (PubChem CID 155806628) has the molecular formula C13H10Cl2N2O2S and a molecular weight of 329.21 g/mol. Its IUPAC name is 4-chloro-N-[(4-chlorophenyl)sulfonimidoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(4-chlorophenyl)sulfonimidoyl]benzamide
PubChem CID155806628
Molecular FormulaC13H10Cl2N2O2S
Molecular Weight329.21 g/mol
Exact Mass327.98
IUPAC Name4-chloro-N-[(4-chlorophenyl)sulfonimidoyl]benzamide
SMILES[H]N=S(=O)(NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10Cl2N2O2S/c14-10-3-1-9(2-4-10)13(18)17-20(16,19)12-7-5-11(15)6-8-12/h1-8H,(H2,16,17,18,19)
InChIKeyCFIRYFDFDPBCCW-UHFFFAOYSA-N
XLogP3.74
TPSA70.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 23702299
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CID 56655954
4-chloro-N-hydroxybenzamide
CID 587178
4-[(4-chlorophenyl)sulfonylcarbamoyl]benzenesulfinate
CID 23213583
N'-acetyl-4-chlorobenzohydrazide
CID 799230
N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 932051
N-(4-chlorophenyl)sulfonylacetamide
CID 139084564
N-acetyl-4-chlorobenzamide
CID 11735747
4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513
4-chloro-N-(2-methylphenyl)sulfonylbenzamide
CID 139079289
4-chloro-N-[(2S)-1-[2-(4-methylsulfonylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 34963656

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-chlorophenyl)sulfonimidoyl]benzamide?
The IUPAC name of 4-chloro-N-[(4-chlorophenyl)sulfonimidoyl]benzamide (CID 155806628) is 4-chloro-N-[(4-chlorophenyl)sulfonimidoyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(4-chlorophenyl)sulfonimidoyl]benzamide?
The canonical SMILES for 4-chloro-N-[(4-chlorophenyl)sulfonimidoyl]benzamide is [H]N=S(=O)(NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(4-chlorophenyl)sulfonimidoyl]benzamide?
The InChIKey is CFIRYFDFDPBCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2S/c14-10-3-1-9(2-4-10)13(18)17-20(16,19)12-7-5-11(15)6-8-12/h1-8H,(H2,16,17,18,19).
What are the key properties of 4-chloro-N-[(4-chlorophenyl)sulfonimidoyl]benzamide?
4-chloro-N-[(4-chlorophenyl)sulfonimidoyl]benzamide has a molecular weight of 329.21 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-chlorophenyl)sulfonimidoyl]benzamide is sourced from PubChem (CID 155806628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).