2,3-difluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonyl chloride

C11H13ClF2O4S — CID 63036585

IUPAC2,3-difluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonyl chloride
SMILESCC(C)OCCOc1ccc(S(=O)(=O)Cl)c(F)c1F
InChIInChI=1S/C11H13ClF2O4S/c1-7(2)17-5-6-18-8-3-4-9(19(12,15)16)11(14)10(8)13/h3-4,7H,5-6H2,1-2H3
InChIKeyXGCMAPKDZQWQJS-UHFFFAOYSA-N
MW314.74 g/mol
LogP2.70
Rot. Bonds6

About 2,3-difluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonyl chloride

2,3-difluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonyl chloride (PubChem CID 63036585) has the molecular formula C11H13ClF2O4S and a molecular weight of 314.74 g/mol. Its IUPAC name is 2,3-difluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-difluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonyl chloride
PubChem CID63036585
Molecular FormulaC11H13ClF2O4S
Molecular Weight314.74 g/mol
Exact Mass314.02
IUPAC Name2,3-difluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonyl chloride
SMILESCC(C)OCCOc1ccc(S(=O)(=O)Cl)c(F)c1F
InChIInChI=1S/C11H13ClF2O4S/c1-7(2)17-5-6-18-8-3-4-9(19(12,15)16)11(14)10(8)13/h3-4,7H,5-6H2,1-2H3
InChIKeyXGCMAPKDZQWQJS-UHFFFAOYSA-N
XLogP2.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-propan-2-yl-4-(2-propan-2-yloxyethoxy)benzenesulfonyl chloride
CID 61484808
2,3-difluoro-4-phenylmethoxybenzenesulfonyl chloride
CID 63036759
4-(4,4-dimethylpent-2-ynoxy)-2,3-difluorobenzenesulfonyl chloride
CID 114189808
2,3-difluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]benzenesulfonyl chloride
CID 103000433
2,3-difluoro-4-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82911549
4-[2-(carbamoylamino)-2-oxoethoxy]-2,3-difluorobenzenesulfonyl chloride
CID 82920937
3-fluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonamide
CID 61485134
4-[1-(carbamoylamino)-1-oxopropan-2-yl]oxy-2,3-difluorobenzenesulfonyl chloride
CID 82911539
3-ethoxy-2,4-difluorobenzenesulfonyl chloride
CID 86811459
4-ethoxy-2-fluoro-3-nitrobenzenesulfonyl chloride
CID 172969626
2-fluoro-3,4-dimethoxybenzenesulfonyl chloride
CID 84708317
2,3-dichloro-4-(4-methylpentoxy)benzenesulfonyl chloride
CID 83157190

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonyl chloride?
The IUPAC name of 2,3-difluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonyl chloride (CID 63036585) is 2,3-difluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2,3-difluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2,3-difluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonyl chloride is CC(C)OCCOc1ccc(S(=O)(=O)Cl)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonyl chloride?
The InChIKey is XGCMAPKDZQWQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF2O4S/c1-7(2)17-5-6-18-8-3-4-9(19(12,15)16)11(14)10(8)13/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2,3-difluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonyl chloride?
2,3-difluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonyl chloride has a molecular weight of 314.74 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(2-propan-2-yloxyethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 63036585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).