5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride

C11H14Cl2O4S — CID 104647311

IUPAC5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride
SMILESCOCCCCOc1ccc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H14Cl2O4S/c1-16-6-2-3-7-17-10-5-4-9(12)8-11(10)18(13,14)15/h4-5,8H,2-3,6-7H2,1H3
InChIKeyLONNVNGNXXXCKX-UHFFFAOYSA-N
MW313.20 g/mol
LogP3.07
Rot. Bonds7

About 5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride

5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride (PubChem CID 104647311) has the molecular formula C11H14Cl2O4S and a molecular weight of 313.20 g/mol. Its IUPAC name is 5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride
PubChem CID104647311
Molecular FormulaC11H14Cl2O4S
Molecular Weight313.20 g/mol
Exact Mass312.00
IUPAC Name5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride
SMILESCOCCCCOc1ccc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H14Cl2O4S/c1-16-6-2-3-7-17-10-5-4-9(12)8-11(10)18(13,14)15/h4-5,8H,2-3,6-7H2,1H3
InChIKeyLONNVNGNXXXCKX-UHFFFAOYSA-N
XLogP3.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 53.07
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

5-chloro-2-nonoxybenzenesulfonyl chloride
CID 63495663
5-chloro-2-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
CID 62104796
3-chlorosulfonyl-4-(2-methoxyethoxy)benzoic acid
CID 43145264
5-chloro-2-[2-(dimethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82921081
5-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzenesulfonyl chloride
CID 103409266
N-[5-chloro-2-(2-methoxyethoxy)phenyl]sulfonylacetamide
CID 167798625
5-chloro-2-(4-methoxybutoxy)benzoic acid
CID 104646799
2-butoxy-5-chlorobenzenesulfonamide
CID 62103523
[5-chloro-2-(4-methoxybutoxy)phenyl]methanol
CID 104647989
2-heptoxy-5-methylbenzenesulfonyl chloride
CID 43129113
5-fluoro-2-pentoxybenzenesulfonyl chloride
CID 62104235
5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide
CID 65180427

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride (CID 104647311) is 5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride is COCCCCOc1ccc(Cl)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride?
The InChIKey is LONNVNGNXXXCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O4S/c1-16-6-2-3-7-17-10-5-4-9(12)8-11(10)18(13,14)15/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride?
5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride has a molecular weight of 313.20 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride is sourced from PubChem (CID 104647311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).