2,4-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide

C11H14Cl3NO3S — CID 102701358

IUPAC2,4-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide
SMILESCOC(C)CNS(=O)(=O)c1ccc(Cl)c(CCl)c1Cl
InChIInChI=1S/C11H14Cl3NO3S/c1-7(18-2)6-15-19(16,17)10-4-3-9(13)8(5-12)11(10)14/h3-4,7,15H,5-6H2,1-2H3
InChIKeyDAWFYKCXYOCWSU-UHFFFAOYSA-N
MW346.66 g/mol
LogP3.05
Rot. Bonds6

About 2,4-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide

2,4-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide (PubChem CID 102701358) has the molecular formula C11H14Cl3NO3S and a molecular weight of 346.66 g/mol. Its IUPAC name is 2,4-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide
PubChem CID102701358
Molecular FormulaC11H14Cl3NO3S
Molecular Weight346.66 g/mol
Exact Mass344.98
IUPAC Name2,4-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide
SMILESCOC(C)CNS(=O)(=O)c1ccc(Cl)c(CCl)c1Cl
InChIInChI=1S/C11H14Cl3NO3S/c1-7(18-2)6-15-19(16,17)10-4-3-9(13)8(5-12)11(10)14/h3-4,7,15H,5-6H2,1-2H3
InChIKeyDAWFYKCXYOCWSU-UHFFFAOYSA-N
XLogP3.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.66
LogP ≤ 53.05
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

2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697607
2,5-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide
CID 102701374
2-chloro-4-cyano-N-(2-methoxypropyl)benzenesulfonamide
CID 102697491
3-(aminomethyl)-2,4-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83145270
4-chloro-N-(2-methoxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 102697538
5-bromo-3-(chloromethyl)-2-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102701391
2-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)benzenesulfonamide
CID 102701595
2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102697677
3-bromo-5-(chloromethyl)-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102701357
N-(2-methoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 102697533
4-(chloromethyl)-N-(2-methoxypropyl)-3-methylbenzenesulfonamide
CID 112737391
3-amino-5-chloro-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102694349

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide (CID 102701358) is 2,4-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide is COC(C)CNS(=O)(=O)c1ccc(Cl)c(CCl)c1Cl.
What is the InChIKey of 2,4-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide?
The InChIKey is DAWFYKCXYOCWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl3NO3S/c1-7(18-2)6-15-19(16,17)10-4-3-9(13)8(5-12)11(10)14/h3-4,7,15H,5-6H2,1-2H3.
What are the key properties of 2,4-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide?
2,4-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide has a molecular weight of 346.66 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 102701358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).