4-methoxy-3-propan-2-ylbenzenesulfonyl chloride

C10H13ClO3S — CID 22712084

IUPAC4-methoxy-3-propan-2-ylbenzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)cc1C(C)C
InChIInChI=1S/C10H13ClO3S/c1-7(2)9-6-8(15(11,12)13)4-5-10(9)14-3/h4-7H,1-3H3
InChIKeyVKOMAPGWMCUJAX-UHFFFAOYSA-N
MW248.73 g/mol
LogP2.75
Rot. Bonds3

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

4-methoxy-3-propan-2-ylbenzenesulfonyl chloride (PubChem CID 22712084) has the molecular formula C10H13ClO3S and a molecular weight of 248.73 g/mol. Its IUPAC name is 4-methoxy-3-propan-2-ylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-methoxy-3-propan-2-ylbenzenesulfonyl chloride
PubChem CID22712084
Molecular FormulaC10H13ClO3S
Molecular Weight248.73 g/mol
Exact Mass248.03
IUPAC Name4-methoxy-3-propan-2-ylbenzenesulfonyl chloride
SMILESCOc1ccc(S(=O)(=O)Cl)cc1C(C)C
InChIInChI=1S/C10H13ClO3S/c1-7(2)9-6-8(15(11,12)13)4-5-10(9)14-3/h4-7H,1-3H3
InChIKeyVKOMAPGWMCUJAX-UHFFFAOYSA-N
XLogP2.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxy-3-methylbenzenesulfonamide
CID 847787
6-Methoxy-m-toluenesulfonyl chloride
CID 145149
4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride
CID 562787
1-(4-Methoxy-3-propan-2-ylphenyl)sulfonylpyrrolidine
CID 850045
N,3-ditert-butyl-4-methoxybenzenesulfonamide
CID 9267355
3,5-Dimethyl-4-methoxythiophenol
CID 2758578
2,3-Dihydrobenzofuran-5-sulfonyl Chloride
CID 2776154
1-Methoxy-2-methyl-4-(methylthio)benzene
CID 592820
N-ethyl-4-methoxy-3-methylbenzenesulfonamide
CID 894026
4-methoxy-3-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 956299
2-Isopropyl-4-(1-piperidinylsulfonyl)phenyl methyl ether
CID 1258440
N-allyl-4-methoxy-3-methylbenzenesulfonamide
CID 1750779

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-propan-2-ylbenzenesulfonyl chloride?
The IUPAC name of 4-methoxy-3-propan-2-ylbenzenesulfonyl chloride (CID 22712084) is 4-methoxy-3-propan-2-ylbenzenesulfonyl chloride.
What is the SMILES notation for 4-methoxy-3-propan-2-ylbenzenesulfonyl chloride?
The canonical SMILES for 4-methoxy-3-propan-2-ylbenzenesulfonyl chloride is COc1ccc(S(=O)(=O)Cl)cc1C(C)C.
What is the InChIKey of 4-methoxy-3-propan-2-ylbenzenesulfonyl chloride?
The InChIKey is VKOMAPGWMCUJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3S/c1-7(2)9-6-8(15(11,12)13)4-5-10(9)14-3/h4-7H,1-3H3.
What are the key properties of 4-methoxy-3-propan-2-ylbenzenesulfonyl chloride?
4-methoxy-3-propan-2-ylbenzenesulfonyl chloride has a molecular weight of 248.73 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-propan-2-ylbenzenesulfonyl chloride is sourced from PubChem (CID 22712084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).