5-bromo-3-methyl-2-[(3-methylphenyl)methoxy]benzenesulfonyl chloride

C15H14BrClO3S — CID 63216758

IUPAC5-bromo-3-methyl-2-[(3-methylphenyl)methoxy]benzenesulfonyl chloride
SMILESCc1cccc(COc2c(C)cc(Br)cc2S(=O)(=O)Cl)c1
InChIInChI=1S/C15H14BrClO3S/c1-10-4-3-5-12(6-10)9-20-15-11(2)7-13(16)8-14(15)21(17,18)19/h3-8H,9H2,1-2H3
InChIKeyMFZZJMCTWCFAEK-UHFFFAOYSA-N
MW389.70 g/mol
LogP4.57
Rot. Bonds4

About 5-bromo-3-methyl-2-[(3-methylphenyl)methoxy]benzenesulfonyl chloride

5-bromo-3-methyl-2-[(3-methylphenyl)methoxy]benzenesulfonyl chloride (PubChem CID 63216758) has the molecular formula C15H14BrClO3S and a molecular weight of 389.70 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-[(3-methylphenyl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-3-methyl-2-[(3-methylphenyl)methoxy]benzenesulfonyl chloride
PubChem CID63216758
Molecular FormulaC15H14BrClO3S
Molecular Weight389.70 g/mol
Exact Mass387.95
IUPAC Name5-bromo-3-methyl-2-[(3-methylphenyl)methoxy]benzenesulfonyl chloride
SMILESCc1cccc(COc2c(C)cc(Br)cc2S(=O)(=O)Cl)c1
InChIInChI=1S/C15H14BrClO3S/c1-10-4-3-5-12(6-10)9-20-15-11(2)7-13(16)8-14(15)21(17,18)19/h3-8H,9H2,1-2H3
InChIKeyMFZZJMCTWCFAEK-UHFFFAOYSA-N
XLogP4.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.70
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(3-fluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 63216968
5-bromo-2-ethoxy-3-methylbenzenesulfonyl chloride
CID 63216576
2-[(3-bromophenyl)methoxy]-5-methylbenzenesulfonyl chloride
CID 43111244
5-bromo-3-methyl-2-octoxybenzenesulfonyl chloride
CID 63495664
5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)benzenesulfonyl chloride
CID 82911733
2-(3-amino-3-oxopropoxy)-5-bromo-3-methylbenzenesulfonyl chloride
CID 82921454
2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dimethylbenzenesulfonyl chloride
CID 104796598
5-bromo-2-[(3-bromophenyl)methoxy]-3-methylbenzaldehyde
CID 112620538
5-bromo-2-[(3-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620679
1-bromo-3-methyl-5-[(3-methylphenyl)methoxy]benzene
CID 164573942
[3,5-dibromo-2-[(3-methylphenyl)methoxy]phenyl]methanol
CID 132591526
1-[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741925

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-[(3-methylphenyl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 5-bromo-3-methyl-2-[(3-methylphenyl)methoxy]benzenesulfonyl chloride (CID 63216758) is 5-bromo-3-methyl-2-[(3-methylphenyl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-3-methyl-2-[(3-methylphenyl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-3-methyl-2-[(3-methylphenyl)methoxy]benzenesulfonyl chloride is Cc1cccc(COc2c(C)cc(Br)cc2S(=O)(=O)Cl)c1.
What is the InChIKey of 5-bromo-3-methyl-2-[(3-methylphenyl)methoxy]benzenesulfonyl chloride?
The InChIKey is MFZZJMCTWCFAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO3S/c1-10-4-3-5-12(6-10)9-20-15-11(2)7-13(16)8-14(15)21(17,18)19/h3-8H,9H2,1-2H3.
What are the key properties of 5-bromo-3-methyl-2-[(3-methylphenyl)methoxy]benzenesulfonyl chloride?
5-bromo-3-methyl-2-[(3-methylphenyl)methoxy]benzenesulfonyl chloride has a molecular weight of 389.70 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2-[(3-methylphenyl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 63216758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).