(5-bromo-2-propoxyphenyl)methanesulfonyl chloride

C10H12BrClO3S — CID 165446942

IUPAC(5-bromo-2-propoxyphenyl)methanesulfonyl chloride
SMILESCCCOc1ccc(Br)cc1CS(=O)(=O)Cl
InChIInChI=1S/C10H12BrClO3S/c1-2-5-15-10-4-3-9(11)6-8(10)7-16(12,13)14/h3-4,6H,2,5,7H2,1H3
InChIKeyZXGTXWLHJOTKDQ-UHFFFAOYSA-N
MW327.63 g/mol
LogP3.31
Rot. Bonds5

About (5-bromo-2-propoxyphenyl)methanesulfonyl chloride

(5-bromo-2-propoxyphenyl)methanesulfonyl chloride (PubChem CID 165446942) has the molecular formula C10H12BrClO3S and a molecular weight of 327.63 g/mol. Its IUPAC name is (5-bromo-2-propoxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5-bromo-2-propoxyphenyl)methanesulfonyl chloride
PubChem CID165446942
Molecular FormulaC10H12BrClO3S
Molecular Weight327.63 g/mol
Exact Mass325.94
IUPAC Name(5-bromo-2-propoxyphenyl)methanesulfonyl chloride
SMILESCCCOc1ccc(Br)cc1CS(=O)(=O)Cl
InChIInChI=1S/C10H12BrClO3S/c1-2-5-15-10-4-3-9(11)6-8(10)7-16(12,13)14/h3-4,6H,2,5,7H2,1H3
InChIKeyZXGTXWLHJOTKDQ-UHFFFAOYSA-N
XLogP3.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.63
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
N-[(5-bromo-2-propoxyphenyl)methyl]-2,6-dichloroaniline
CID 65468190
4-bromo-2-(2-methylbut-3-enyl)-1-propoxybenzene
CID 83934016
1-[5-bromo-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106728351
N-[(5-bromo-2-propoxyphenyl)methyl]-4-methylaniline
CID 43765740
N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylpentan-3-amine
CID 63453722
1-(5-bromo-2-propoxyphenyl)-N-(2-methylpropoxy)methanamine
CID 82712779
2-[(5-bromo-2-propoxyphenyl)methylamino]propane-1,3-diol
CID 65312603
N-[(5-bromo-2-propoxyphenyl)methyl]-3-methylcyclopentan-1-amine
CID 114544000
4-bromo-2-tert-butyl-1-propoxybenzene
CID 22619457
2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine
CID 115614925

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-propoxyphenyl)methanesulfonyl chloride?
The IUPAC name of (5-bromo-2-propoxyphenyl)methanesulfonyl chloride (CID 165446942) is (5-bromo-2-propoxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (5-bromo-2-propoxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (5-bromo-2-propoxyphenyl)methanesulfonyl chloride is CCCOc1ccc(Br)cc1CS(=O)(=O)Cl.
What is the InChIKey of (5-bromo-2-propoxyphenyl)methanesulfonyl chloride?
The InChIKey is ZXGTXWLHJOTKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO3S/c1-2-5-15-10-4-3-9(11)6-8(10)7-16(12,13)14/h3-4,6H,2,5,7H2,1H3.
What are the key properties of (5-bromo-2-propoxyphenyl)methanesulfonyl chloride?
(5-bromo-2-propoxyphenyl)methanesulfonyl chloride has a molecular weight of 327.63 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-propoxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 165446942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).