4-ethoxy-3-propan-2-ylbenzenesulfonyl chloride

C11H15ClO3S — CID 43134438

IUPAC4-ethoxy-3-propan-2-ylbenzenesulfonyl chloride
SMILESCCOc1ccc(S(=O)(=O)Cl)cc1C(C)C
InChIInChI=1S/C11H15ClO3S/c1-4-15-11-6-5-9(16(12,13)14)7-10(11)8(2)3/h5-8H,4H2,1-3H3
InChIKeyCDCSRFPTTLHNPO-UHFFFAOYSA-N
MW262.76 g/mol
LogP3.14
Rot. Bonds4

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

4-ethoxy-3-propan-2-ylbenzenesulfonyl chloride (PubChem CID 43134438) has the molecular formula C11H15ClO3S and a molecular weight of 262.76 g/mol. Its IUPAC name is 4-ethoxy-3-propan-2-ylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-ethoxy-3-propan-2-ylbenzenesulfonyl chloride
PubChem CID43134438
Molecular FormulaC11H15ClO3S
Molecular Weight262.76 g/mol
Exact Mass262.04
IUPAC Name4-ethoxy-3-propan-2-ylbenzenesulfonyl chloride
SMILESCCOc1ccc(S(=O)(=O)Cl)cc1C(C)C
InChIInChI=1S/C11H15ClO3S/c1-4-15-11-6-5-9(16(12,13)14)7-10(11)8(2)3/h5-8H,4H2,1-3H3
InChIKeyCDCSRFPTTLHNPO-UHFFFAOYSA-N
XLogP3.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-propan-2-ylbenzenesulfonyl chloride?
The IUPAC name of 4-ethoxy-3-propan-2-ylbenzenesulfonyl chloride (CID 43134438) is 4-ethoxy-3-propan-2-ylbenzenesulfonyl chloride.
What is the SMILES notation for 4-ethoxy-3-propan-2-ylbenzenesulfonyl chloride?
The canonical SMILES for 4-ethoxy-3-propan-2-ylbenzenesulfonyl chloride is CCOc1ccc(S(=O)(=O)Cl)cc1C(C)C.
What is the InChIKey of 4-ethoxy-3-propan-2-ylbenzenesulfonyl chloride?
The InChIKey is CDCSRFPTTLHNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3S/c1-4-15-11-6-5-9(16(12,13)14)7-10(11)8(2)3/h5-8H,4H2,1-3H3.
What are the key properties of 4-ethoxy-3-propan-2-ylbenzenesulfonyl chloride?
4-ethoxy-3-propan-2-ylbenzenesulfonyl chloride has a molecular weight of 262.76 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-propan-2-ylbenzenesulfonyl chloride is sourced from PubChem (CID 43134438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).