5-bromo-2-(2-ethoxyethoxy)benzenesulfonyl chloride

C10H12BrClO4S — CID 62104374

IUPAC5-bromo-2-(2-ethoxyethoxy)benzenesulfonyl chloride
SMILESCCOCCOc1ccc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H12BrClO4S/c1-2-15-5-6-16-9-4-3-8(11)7-10(9)17(12,13)14/h3-4,7H,2,5-6H2,1H3
InChIKeyHNOISOIMHSYWOJ-UHFFFAOYSA-N
MW343.63 g/mol
LogP2.79
Rot. Bonds6

About 5-bromo-2-(2-ethoxyethoxy)benzenesulfonyl chloride

5-bromo-2-(2-ethoxyethoxy)benzenesulfonyl chloride (PubChem CID 62104374) has the molecular formula C10H12BrClO4S and a molecular weight of 343.63 g/mol. Its IUPAC name is 5-bromo-2-(2-ethoxyethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-(2-ethoxyethoxy)benzenesulfonyl chloride
PubChem CID62104374
Molecular FormulaC10H12BrClO4S
Molecular Weight343.63 g/mol
Exact Mass341.93
IUPAC Name5-bromo-2-(2-ethoxyethoxy)benzenesulfonyl chloride
SMILESCCOCCOc1ccc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H12BrClO4S/c1-2-15-5-6-16-9-4-3-8(11)7-10(9)17(12,13)14/h3-4,7H,2,5-6H2,1H3
InChIKeyHNOISOIMHSYWOJ-UHFFFAOYSA-N
XLogP2.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.63
LogP ≤ 52.79
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-Bromo-2-ethoxybenzenesulfonamide
CID 2321418
5-Bromo-2-methoxybenzene-1-sulfonyl chloride
CID 520020
5-Bromo-2-ethoxybenzene-1-sulfonyl chloride
CID 3688333
6-Bromo-2,3-dihydro-1,4lambda6-benzoxathiine-4,4-dione
CID 131168112
5-Bromo-2-methoxybenzenesulphonamide
CID 8317967
4-(4-Bromophenoxy)benzene-1-sulfonyl chloride
CID 12249741
4-Bromo-2-methoxybenzene-1-sulfonyl chloride
CID 18754952
2-Ethoxybenzene-1-sulfonyl chloride
CID 18944993
3-Bromo-4-ethoxybenzene-1-sulfonyl chloride
CID 43154920
3-Bromo-4-ethoxybenzene-1-sulfonamide
CID 43164336
5-Fluoro-2-(2-methoxyethoxy)benzene-1-sulfonyl chloride
CID 44220951
5-Bromo-2-propoxybenzene-1-sulfonyl chloride
CID 45156417

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-ethoxyethoxy)benzenesulfonyl chloride?
The IUPAC name of 5-bromo-2-(2-ethoxyethoxy)benzenesulfonyl chloride (CID 62104374) is 5-bromo-2-(2-ethoxyethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-(2-ethoxyethoxy)benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-2-(2-ethoxyethoxy)benzenesulfonyl chloride is CCOCCOc1ccc(Br)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-bromo-2-(2-ethoxyethoxy)benzenesulfonyl chloride?
The InChIKey is HNOISOIMHSYWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO4S/c1-2-15-5-6-16-9-4-3-8(11)7-10(9)17(12,13)14/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 5-bromo-2-(2-ethoxyethoxy)benzenesulfonyl chloride?
5-bromo-2-(2-ethoxyethoxy)benzenesulfonyl chloride has a molecular weight of 343.63 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-ethoxyethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 62104374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).