4-phenylmethoxy-3-propan-2-ylbenzenesulfonyl chloride

C16H17ClO3S — CID 43247067

IUPAC4-phenylmethoxy-3-propan-2-ylbenzenesulfonyl chloride
SMILESCC(C)c1cc(S(=O)(=O)Cl)ccc1OCc1ccccc1
InChIInChI=1S/C16H17ClO3S/c1-12(2)15-10-14(21(17,18)19)8-9-16(15)20-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChIKeyTWOZIWXRYBLRIO-UHFFFAOYSA-N
MW324.83 g/mol
LogP4.32
Rot. Bonds5

About 4-phenylmethoxy-3-propan-2-ylbenzenesulfonyl chloride

4-phenylmethoxy-3-propan-2-ylbenzenesulfonyl chloride (PubChem CID 43247067) has the molecular formula C16H17ClO3S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-phenylmethoxy-3-propan-2-ylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-phenylmethoxy-3-propan-2-ylbenzenesulfonyl chloride
PubChem CID43247067
Molecular FormulaC16H17ClO3S
Molecular Weight324.83 g/mol
Exact Mass324.06
IUPAC Name4-phenylmethoxy-3-propan-2-ylbenzenesulfonyl chloride
SMILESCC(C)c1cc(S(=O)(=O)Cl)ccc1OCc1ccccc1
InChIInChI=1S/C16H17ClO3S/c1-12(2)15-10-14(21(17,18)19)8-9-16(15)20-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChIKeyTWOZIWXRYBLRIO-UHFFFAOYSA-N
XLogP4.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-phenylmethoxy-3-propan-2-ylbenzenesulfonyl 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-(2,2-difluoroethoxy)-3-propan-2-ylbenzenesulfonyl chloride
CID 60922524
4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonyl chloride
CID 61057681
3-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride
CID 43247068
4-(cyclopropylmethoxy)-3-propan-2-ylbenzenesulfonyl chloride
CID 43560231
(4-phenylmethoxy-3-propan-2-ylphenyl) acetate
CID 19030080
N-[3,5-dimethyl-4-(4-phenylmethoxy-3-propan-2-ylphenyl)sulfonylphenyl]butanamide
CID 20720794
3-propan-2-yl-4-(2-pyrrolidin-1-ylethoxy)benzenesulfonyl chloride
CID 82913219
4-(4-ethoxyphenoxy)-1-phenylmethoxy-2-propan-2-ylbenzene
CID 21466253
4-[3-(methylamino)-3-oxopropoxy]-3-propan-2-ylbenzenesulfonyl chloride
CID 82909574
4-phenylmethoxynaphthalene-1-sulfonyl chloride
CID 45156377
4-pentan-2-yloxy-3-propan-2-ylbenzenesulfonyl chloride
CID 107889742
4-chloro-3-propan-2-ylbenzenesulfonyl chloride
CID 58268238

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-3-propan-2-ylbenzenesulfonyl chloride?
The IUPAC name of 4-phenylmethoxy-3-propan-2-ylbenzenesulfonyl chloride (CID 43247067) is 4-phenylmethoxy-3-propan-2-ylbenzenesulfonyl chloride.
What is the SMILES notation for 4-phenylmethoxy-3-propan-2-ylbenzenesulfonyl chloride?
The canonical SMILES for 4-phenylmethoxy-3-propan-2-ylbenzenesulfonyl chloride is CC(C)c1cc(S(=O)(=O)Cl)ccc1OCc1ccccc1.
What is the InChIKey of 4-phenylmethoxy-3-propan-2-ylbenzenesulfonyl chloride?
The InChIKey is TWOZIWXRYBLRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO3S/c1-12(2)15-10-14(21(17,18)19)8-9-16(15)20-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 4-phenylmethoxy-3-propan-2-ylbenzenesulfonyl chloride?
4-phenylmethoxy-3-propan-2-ylbenzenesulfonyl chloride has a molecular weight of 324.83 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-3-propan-2-ylbenzenesulfonyl chloride is sourced from PubChem (CID 43247067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).