3,4-dichloro-5-(dimethylcarbamoyl)benzenesulfonyl chloride

C9H8Cl3NO3S — CID 65371801

IUPAC3,4-dichloro-5-(dimethylcarbamoyl)benzenesulfonyl chloride
SMILESCN(C)C(=O)c1cc(S(=O)(=O)Cl)cc(Cl)c1Cl
InChIInChI=1S/C9H8Cl3NO3S/c1-13(2)9(14)6-3-5(17(12,15)16)4-7(10)8(6)11/h3-4H,1-2H3
InChIKeyWUVSMKLLFGTZIM-UHFFFAOYSA-N
MW316.59 g/mol
LogP2.62
Rot. Bonds2

About 3,4-dichloro-5-(dimethylcarbamoyl)benzenesulfonyl chloride

3,4-dichloro-5-(dimethylcarbamoyl)benzenesulfonyl chloride (PubChem CID 65371801) has the molecular formula C9H8Cl3NO3S and a molecular weight of 316.59 g/mol. Its IUPAC name is 3,4-dichloro-5-(dimethylcarbamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3,4-dichloro-5-(dimethylcarbamoyl)benzenesulfonyl chloride
PubChem CID65371801
Molecular FormulaC9H8Cl3NO3S
Molecular Weight316.59 g/mol
Exact Mass314.93
IUPAC Name3,4-dichloro-5-(dimethylcarbamoyl)benzenesulfonyl chloride
SMILESCN(C)C(=O)c1cc(S(=O)(=O)Cl)cc(Cl)c1Cl
InChIInChI=1S/C9H8Cl3NO3S/c1-13(2)9(14)6-3-5(17(12,15)16)4-7(10)8(6)11/h3-4H,1-2H3
InChIKeyWUVSMKLLFGTZIM-UHFFFAOYSA-N
XLogP2.62
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.59
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride
CID 65371289
3,4-dichloro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65372826
2-chloro-5-(dimethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65372566
4,5-dichlorobenzene-1,3-disulfonyl chloride
CID 14195249
4-chloro-3-fluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 81454555
3-chloro-4-methyl-5-[methyl(2-methylbutan-2-yl)carbamoyl]benzenesulfonyl chloride
CID 107100677
2,3-dichloro-N-methyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 65388491
4-(3-chloro-4-methylphenoxy)-3-(dimethylcarbamoyl)benzenesulfonyl chloride
CID 89370375
4-methylpentyl 2,3-dichloro-5-chlorosulfonylbenzoate
CID 65373540
3-chloro-5-(dimethylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65370842
3-chloro-4-methyl-5-(methylcarbamoyl)benzenesulfonyl chloride
CID 107100578
3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride
CID 107100667

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-5-(dimethylcarbamoyl)benzenesulfonyl chloride?
The IUPAC name of 3,4-dichloro-5-(dimethylcarbamoyl)benzenesulfonyl chloride (CID 65371801) is 3,4-dichloro-5-(dimethylcarbamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 3,4-dichloro-5-(dimethylcarbamoyl)benzenesulfonyl chloride?
The canonical SMILES for 3,4-dichloro-5-(dimethylcarbamoyl)benzenesulfonyl chloride is CN(C)C(=O)c1cc(S(=O)(=O)Cl)cc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-5-(dimethylcarbamoyl)benzenesulfonyl chloride?
The InChIKey is WUVSMKLLFGTZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3NO3S/c1-13(2)9(14)6-3-5(17(12,15)16)4-7(10)8(6)11/h3-4H,1-2H3.
What are the key properties of 3,4-dichloro-5-(dimethylcarbamoyl)benzenesulfonyl chloride?
3,4-dichloro-5-(dimethylcarbamoyl)benzenesulfonyl chloride has a molecular weight of 316.59 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-5-(dimethylcarbamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 65371801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).