2-(4-ethylphenyl)propane-2-sulfonyl chloride

C11H15ClO2S — CID 116866367

IUPAC2-(4-ethylphenyl)propane-2-sulfonyl chloride
SMILESCCc1ccc(C(C)(C)S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H15ClO2S/c1-4-9-5-7-10(8-6-9)11(2,3)15(12,13)14/h5-8H,4H2,1-3H3
InChIKeyVDPSOLOLHSMOGV-UHFFFAOYSA-N
MW246.76 g/mol
LogP3.05
Rot. Bonds3

About 2-(4-ethylphenyl)propane-2-sulfonyl chloride

2-(4-ethylphenyl)propane-2-sulfonyl chloride (PubChem CID 116866367) has the molecular formula C11H15ClO2S and a molecular weight of 246.76 g/mol. Its IUPAC name is 2-(4-ethylphenyl)propane-2-sulfonyl chloride.

Molecular Properties

Compound Name2-(4-ethylphenyl)propane-2-sulfonyl chloride
PubChem CID116866367
Molecular FormulaC11H15ClO2S
Molecular Weight246.76 g/mol
Exact Mass246.05
IUPAC Name2-(4-ethylphenyl)propane-2-sulfonyl chloride
SMILESCCc1ccc(C(C)(C)S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H15ClO2S/c1-4-9-5-7-10(8-6-9)11(2,3)15(12,13)14/h5-8H,4H2,1-3H3
InChIKeyVDPSOLOLHSMOGV-UHFFFAOYSA-N
XLogP3.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-ethylphenyl)propane-2-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

Related Compounds

1-tert-butyl-4-ethylbenzene
CID 157359507
[4-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride
CID 117380123
1-ethyl-4-(3-methylpentan-3-yl)benzene
CID 154560765
1-ethyl-4-[4-(2-fluoropropan-2-yl)phenyl]benzene
CID 142025123
butan-2-one;1-tert-butyl-4-ethylbenzene;2-methylprop-1-ene
CID 142361555
1,4-diethylbenzene;oxoalumane
CID 174317758
1-ethyl-4-(1-ethyliodanuidyl-1-iodoethyl)benzene
CID 163987705
2,2-dibromo-2-(4-ethylphenyl)acetaldehyde
CID 87515612
1-ethyl-4-(2-fluorobutan-2-yl)benzene
CID 89336588
N,N-bis(4-tert-butylphenyl)-4-ethylaniline
CID 59863448
1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)propane-2-sulfonyl chloride?
The IUPAC name of 2-(4-ethylphenyl)propane-2-sulfonyl chloride (CID 116866367) is 2-(4-ethylphenyl)propane-2-sulfonyl chloride.
What is the SMILES notation for 2-(4-ethylphenyl)propane-2-sulfonyl chloride?
The canonical SMILES for 2-(4-ethylphenyl)propane-2-sulfonyl chloride is CCc1ccc(C(C)(C)S(=O)(=O)Cl)cc1.
What is the InChIKey of 2-(4-ethylphenyl)propane-2-sulfonyl chloride?
The InChIKey is VDPSOLOLHSMOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2S/c1-4-9-5-7-10(8-6-9)11(2,3)15(12,13)14/h5-8H,4H2,1-3H3.
What are the key properties of 2-(4-ethylphenyl)propane-2-sulfonyl chloride?
2-(4-ethylphenyl)propane-2-sulfonyl chloride has a molecular weight of 246.76 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)propane-2-sulfonyl chloride is sourced from PubChem (CID 116866367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).