2-chloro-4-ethylsulfonyl-1-propylbenzene

C11H15ClO2S — CID 59864430

IUPAC2-chloro-4-ethylsulfonyl-1-propylbenzene
SMILESCCCc1ccc(S(=O)(=O)CC)cc1Cl
InChIInChI=1S/C11H15ClO2S/c1-3-5-9-6-7-10(8-11(9)12)15(13,14)4-2/h6-8H,3-5H2,1-2H3
InChIKeyKDHVWKIUYXWQKR-UHFFFAOYSA-N
MW246.76 g/mol
LogP3.09
Rot. Bonds4

About 2-chloro-4-ethylsulfonyl-1-propylbenzene

2-chloro-4-ethylsulfonyl-1-propylbenzene (PubChem CID 59864430) has the molecular formula C11H15ClO2S and a molecular weight of 246.76 g/mol. Its IUPAC name is 2-chloro-4-ethylsulfonyl-1-propylbenzene.

Molecular Properties

Compound Name2-chloro-4-ethylsulfonyl-1-propylbenzene
PubChem CID59864430
Molecular FormulaC11H15ClO2S
Molecular Weight246.76 g/mol
Exact Mass246.05
IUPAC Name2-chloro-4-ethylsulfonyl-1-propylbenzene
SMILESCCCc1ccc(S(=O)(=O)CC)cc1Cl
InChIInChI=1S/C11H15ClO2S/c1-3-5-9-6-7-10(8-11(9)12)15(13,14)4-2/h6-8H,3-5H2,1-2H3
InChIKeyKDHVWKIUYXWQKR-UHFFFAOYSA-N
XLogP3.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethylsulfonyl-1-propylbenzene?
The IUPAC name of 2-chloro-4-ethylsulfonyl-1-propylbenzene (CID 59864430) is 2-chloro-4-ethylsulfonyl-1-propylbenzene.
What is the SMILES notation for 2-chloro-4-ethylsulfonyl-1-propylbenzene?
The canonical SMILES for 2-chloro-4-ethylsulfonyl-1-propylbenzene is CCCc1ccc(S(=O)(=O)CC)cc1Cl.
What is the InChIKey of 2-chloro-4-ethylsulfonyl-1-propylbenzene?
The InChIKey is KDHVWKIUYXWQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2S/c1-3-5-9-6-7-10(8-11(9)12)15(13,14)4-2/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-chloro-4-ethylsulfonyl-1-propylbenzene?
2-chloro-4-ethylsulfonyl-1-propylbenzene has a molecular weight of 246.76 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethylsulfonyl-1-propylbenzene is sourced from PubChem (CID 59864430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).