4-(2-bromoprop-2-enoxy)naphthalene-1-sulfonyl chloride

C13H10BrClO3S — CID 82909789

IUPAC4-(2-bromoprop-2-enoxy)naphthalene-1-sulfonyl chloride
SMILESC=C(Br)COc1ccc(S(=O)(=O)Cl)c2ccccc12
InChIInChI=1S/C13H10BrClO3S/c1-9(14)8-18-12-6-7-13(19(15,16)17)11-5-3-2-4-10(11)12/h2-7H,1,8H2
InChIKeyWVFMLRZYZXRTAV-UHFFFAOYSA-N
MW361.64 g/mol
LogP4.05
Rot. Bonds4

About 4-(2-bromoprop-2-enoxy)naphthalene-1-sulfonyl chloride

4-(2-bromoprop-2-enoxy)naphthalene-1-sulfonyl chloride (PubChem CID 82909789) has the molecular formula C13H10BrClO3S and a molecular weight of 361.64 g/mol. Its IUPAC name is 4-(2-bromoprop-2-enoxy)naphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name4-(2-bromoprop-2-enoxy)naphthalene-1-sulfonyl chloride
PubChem CID82909789
Molecular FormulaC13H10BrClO3S
Molecular Weight361.64 g/mol
Exact Mass359.92
IUPAC Name4-(2-bromoprop-2-enoxy)naphthalene-1-sulfonyl chloride
SMILESC=C(Br)COc1ccc(S(=O)(=O)Cl)c2ccccc12
InChIInChI=1S/C13H10BrClO3S/c1-9(14)8-18-12-6-7-13(19(15,16)17)11-5-3-2-4-10(11)12/h2-7H,1,8H2
InChIKeyWVFMLRZYZXRTAV-UHFFFAOYSA-N
XLogP4.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.64
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-bromoprop-2-enoxy)naphthalene-1-sulfonyl chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoprop-2-enoxy)naphthalene-1-sulfonyl chloride?
The IUPAC name of 4-(2-bromoprop-2-enoxy)naphthalene-1-sulfonyl chloride (CID 82909789) is 4-(2-bromoprop-2-enoxy)naphthalene-1-sulfonyl chloride.
What is the SMILES notation for 4-(2-bromoprop-2-enoxy)naphthalene-1-sulfonyl chloride?
The canonical SMILES for 4-(2-bromoprop-2-enoxy)naphthalene-1-sulfonyl chloride is C=C(Br)COc1ccc(S(=O)(=O)Cl)c2ccccc12.
What is the InChIKey of 4-(2-bromoprop-2-enoxy)naphthalene-1-sulfonyl chloride?
The InChIKey is WVFMLRZYZXRTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClO3S/c1-9(14)8-18-12-6-7-13(19(15,16)17)11-5-3-2-4-10(11)12/h2-7H,1,8H2.
What are the key properties of 4-(2-bromoprop-2-enoxy)naphthalene-1-sulfonyl chloride?
4-(2-bromoprop-2-enoxy)naphthalene-1-sulfonyl chloride has a molecular weight of 361.64 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoprop-2-enoxy)naphthalene-1-sulfonyl chloride is sourced from PubChem (CID 82909789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).