2-bromo-4-methoxybenzenesulfonyl chloride

C7H6BrClO3S — CID 17389861

IUPAC2-bromo-4-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)c(Br)c1
InChIInChI=1S/C7H6BrClO3S/c1-12-5-2-3-7(6(8)4-5)13(9,10)11/h2-4H,1H3
InChIKeyNRNTWMTVYWBKSM-UHFFFAOYSA-N
MW285.55 g/mol
LogP2.39
Rot. Bonds2

About 2-bromo-4-methoxybenzenesulfonyl chloride

2-bromo-4-methoxybenzenesulfonyl chloride (PubChem CID 17389861) has the molecular formula C7H6BrClO3S and a molecular weight of 285.55 g/mol. Its IUPAC name is 2-bromo-4-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2-bromo-4-methoxybenzenesulfonyl chloride
PubChem CID17389861
Molecular FormulaC7H6BrClO3S
Molecular Weight285.55 g/mol
Exact Mass283.89
IUPAC Name2-bromo-4-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)c(Br)c1
InChIInChI=1S/C7H6BrClO3S/c1-12-5-2-3-7(6(8)4-5)13(9,10)11/h2-4H,1H3
InChIKeyNRNTWMTVYWBKSM-UHFFFAOYSA-N
XLogP2.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.55
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-bromo-4-methoxybenzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methoxybenzenesulfonyl chloride
CID 7401
5-Bromo-2-methoxybenzene-1-sulfonyl chloride
CID 520020
4-Methoxybenzene-1-sulfonyl bromide
CID 13089866
4-Bromo-2-(Trifluoromethoxy)Benzene-1-Sulfonyl Chloride
CID 2736421
3-Bromo-4-methoxybenzene-1-sulfonyl chloride
CID 3863747
4-(4-Bromophenoxy)benzene-1-sulfonyl chloride
CID 12249741
4-Bromo-2-methoxybenzene-1-sulfonyl chloride
CID 18754952
2-Bromo-5-methoxybenzene-1-sulfonyl chloride
CID 18754992
3-Bromo-4-ethoxybenzene-1-sulfonyl chloride
CID 43154920
4-Bromo-3-methoxybenzene-1-sulfonyl chloride
CID 50876026
2-Bromo-4-(trifluoromethoxy)benzene-1-sulfonyl chloride
CID 50998018
2-Bromo-5-methoxybenzene-1-sulfonamide
CID 51000083

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methoxybenzenesulfonyl chloride?
The IUPAC name of 2-bromo-4-methoxybenzenesulfonyl chloride (CID 17389861) is 2-bromo-4-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 2-bromo-4-methoxybenzenesulfonyl chloride?
The canonical SMILES for 2-bromo-4-methoxybenzenesulfonyl chloride is COc1ccc(S(=O)(=O)Cl)c(Br)c1.
What is the InChIKey of 2-bromo-4-methoxybenzenesulfonyl chloride?
The InChIKey is NRNTWMTVYWBKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClO3S/c1-12-5-2-3-7(6(8)4-5)13(9,10)11/h2-4H,1H3.
What are the key properties of 2-bromo-4-methoxybenzenesulfonyl chloride?
2-bromo-4-methoxybenzenesulfonyl chloride has a molecular weight of 285.55 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 17389861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).