5-bromo-2-propoxybenzenesulfonyl chloride

C9H10BrClO3S — CID 45156417

IUPAC5-bromo-2-propoxybenzenesulfonyl chloride
SMILESCCCOc1ccc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H10BrClO3S/c1-2-5-14-8-4-3-7(10)6-9(8)15(11,12)13/h3-4,6H,2,5H2,1H3
InChIKeyRGCZSGFZDFOXHT-UHFFFAOYSA-N
MW313.60 g/mol
LogP3.17
Rot. Bonds4

About 5-bromo-2-propoxybenzenesulfonyl chloride

5-bromo-2-propoxybenzenesulfonyl chloride (PubChem CID 45156417) has the molecular formula C9H10BrClO3S and a molecular weight of 313.60 g/mol. Its IUPAC name is 5-bromo-2-propoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-2-propoxybenzenesulfonyl chloride
PubChem CID45156417
Molecular FormulaC9H10BrClO3S
Molecular Weight313.60 g/mol
Exact Mass311.92
IUPAC Name5-bromo-2-propoxybenzenesulfonyl chloride
SMILESCCCOc1ccc(Br)cc1S(=O)(=O)Cl
InChIInChI=1S/C9H10BrClO3S/c1-2-5-14-8-4-3-7(10)6-9(8)15(11,12)13/h3-4,6H,2,5H2,1H3
InChIKeyRGCZSGFZDFOXHT-UHFFFAOYSA-N
XLogP3.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.60
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N,N-diethyl-2-methoxybenzenesulfonamide
CID 882981
5-Bromo-2-ethoxybenzenesulfonamide
CID 2321418
5-Bromo-2-methoxybenzene-1-sulfonyl chloride
CID 520020
4-Bromo-2-(1-pyrrolidinylsulfonyl)phenyl ethyl ether
CID 700235
5-bromo-N-ethyl-2-methoxybenzenesulfonamide
CID 935464
5-Bromo-2-ethoxybenzene-1-sulfonyl chloride
CID 3688333
5-bromo-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 1587715
6-Bromo-2,3-dihydro-1,4lambda6-benzoxathiine-4,4-dione
CID 131168112
3-Bromo-4-methoxybenzene-1-sulfonyl chloride
CID 3863747
5-Bromo-2-methoxybenzenesulphonamide
CID 8317967
5-Bromo-2-methoxybenzenethiol
CID 11276017
4-(4-Bromophenoxy)benzene-1-sulfonyl chloride
CID 12249741

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-propoxybenzenesulfonyl chloride?
The IUPAC name of 5-bromo-2-propoxybenzenesulfonyl chloride (CID 45156417) is 5-bromo-2-propoxybenzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-2-propoxybenzenesulfonyl chloride?
The canonical SMILES for 5-bromo-2-propoxybenzenesulfonyl chloride is CCCOc1ccc(Br)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-bromo-2-propoxybenzenesulfonyl chloride?
The InChIKey is RGCZSGFZDFOXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO3S/c1-2-5-14-8-4-3-7(10)6-9(8)15(11,12)13/h3-4,6H,2,5H2,1H3.
What are the key properties of 5-bromo-2-propoxybenzenesulfonyl chloride?
5-bromo-2-propoxybenzenesulfonyl chloride has a molecular weight of 313.60 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-propoxybenzenesulfonyl chloride is sourced from PubChem (CID 45156417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).