3,4-dichloro-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride

C11H12Cl3NO3S — CID 65371289

IUPAC3,4-dichloro-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride
SMILESCCCN(C)C(=O)c1cc(S(=O)(=O)Cl)cc(Cl)c1Cl
InChIInChI=1S/C11H12Cl3NO3S/c1-3-4-15(2)11(16)8-5-7(19(14,17)18)6-9(12)10(8)13/h5-6H,3-4H2,1-2H3
InChIKeyOAIFEFTUYHXFHM-UHFFFAOYSA-N
MW344.65 g/mol
LogP3.40
Rot. Bonds4

About 3,4-dichloro-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride

3,4-dichloro-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 65371289) has the molecular formula C11H12Cl3NO3S and a molecular weight of 344.65 g/mol. Its IUPAC name is 3,4-dichloro-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name3,4-dichloro-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride
PubChem CID65371289
Molecular FormulaC11H12Cl3NO3S
Molecular Weight344.65 g/mol
Exact Mass342.96
IUPAC Name3,4-dichloro-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride
SMILESCCCN(C)C(=O)c1cc(S(=O)(=O)Cl)cc(Cl)c1Cl
InChIInChI=1S/C11H12Cl3NO3S/c1-3-4-15(2)11(16)8-5-7(19(14,17)18)6-9(12)10(8)13/h5-6H,3-4H2,1-2H3
InChIKeyOAIFEFTUYHXFHM-UHFFFAOYSA-N
XLogP3.40
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.65
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65372826
3,4-dichloro-5-(dimethylcarbamoyl)benzenesulfonyl chloride
CID 65371801
4-chloro-3-[methyl(pentyl)carbamoyl]benzenesulfonyl chloride
CID 65370538
3-chloro-5-[3-methoxypropyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride
CID 107100667
2,5-dichloro-N-methyl-N-propyl-3-sulfamoylbenzamide
CID 65388331
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
3-chloro-5-[cyclobutylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride
CID 107100665
2-chloro-N-methyl-5-nitro-N-propyl-3-sulfamoylbenzamide
CID 65386412
2,3-dichloro-N-methyl-5-nitro-N-pentylbenzamide
CID 107187436
2-bromo-5-[butyl(methyl)carbamoyl]-3-chlorobenzenesulfonyl chloride
CID 81295735

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 3,4-dichloro-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride (CID 65371289) is 3,4-dichloro-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 3,4-dichloro-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 3,4-dichloro-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride is CCCN(C)C(=O)c1cc(S(=O)(=O)Cl)cc(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is OAIFEFTUYHXFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO3S/c1-3-4-15(2)11(16)8-5-7(19(14,17)18)6-9(12)10(8)13/h5-6H,3-4H2,1-2H3.
What are the key properties of 3,4-dichloro-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride?
3,4-dichloro-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 344.65 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-5-[methyl(propyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 65371289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).