carbon dioxide;4-ethoxy-3-(trifluoromethyl)benzenesulfonyl chloride

C10H8ClF3O5S — CID 160634614

IUPACcarbon dioxide;4-ethoxy-3-(trifluoromethyl)benzenesulfonyl chloride
SMILESCCOc1ccc(S(=O)(=O)Cl)cc1C(F)(F)F.O=C=O
InChIInChI=1S/C9H8ClF3O3S.CO2/c1-2-16-8-4-3-6(17(10,14)15)5-7(8)9(11,12)13;2-1-3/h3-5H,2H2,1H3;
InChIKeyRIJJRIHJMSQHTI-UHFFFAOYSA-N
MW332.68 g/mol
LogP2.45
Rot. Bonds3

About carbon dioxide;4-ethoxy-3-(trifluoromethyl)benzenesulfonyl chloride

carbon dioxide;4-ethoxy-3-(trifluoromethyl)benzenesulfonyl chloride (PubChem CID 160634614) has the molecular formula C10H8ClF3O5S and a molecular weight of 332.68 g/mol. Its IUPAC name is carbon dioxide;4-ethoxy-3-(trifluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Namecarbon dioxide;4-ethoxy-3-(trifluoromethyl)benzenesulfonyl chloride
PubChem CID160634614
Molecular FormulaC10H8ClF3O5S
Molecular Weight332.68 g/mol
Exact Mass331.97
IUPAC Namecarbon dioxide;4-ethoxy-3-(trifluoromethyl)benzenesulfonyl chloride
SMILESCCOc1ccc(S(=O)(=O)Cl)cc1C(F)(F)F.O=C=O
InChIInChI=1S/C9H8ClF3O3S.CO2/c1-2-16-8-4-3-6(17(10,14)15)5-7(8)9(11,12)13;2-1-3/h3-5H,2H2,1H3;
InChIKeyRIJJRIHJMSQHTI-UHFFFAOYSA-N
XLogP2.45
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.68
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-3-(trifluoromethyl)benzenesulfonic acid
CID 174921515
methyl 3-[4-chlorosulfonyl-2-(trifluoromethyl)phenoxy]propanoate
CID 150632807
3-propan-2-yl-4-(2,2,2-trifluoroethoxy)benzenesulfonyl chloride
CID 43247068
4-ethoxy-3-nitrobenzenesulfonyl chloride
CID 21412386
4-cyano-3-ethoxybenzenesulfonyl chloride
CID 55280879
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-(trifluoromethyl)benzenesulfonyl chloride
CID 87206404
3-sulfanyl-4-(trifluoromethoxy)benzenesulfonyl chloride
CID 170999358
3-cyano-4-ethoxybenzenesulfonyl chloride;2-ethoxybenzonitrile
CID 158306651
1-ethoxy-4-ethyl-2-(trifluoromethyl)benzene
CID 118314791
1-methoxy-4-methylsulfonyl-2-(trifluoromethyl)benzene
CID 121234937
4-ethoxy-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 170999648
propyl 5-chlorosulfonyl-2-ethoxybenzoate
CID 65395767

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4-ethoxy-3-(trifluoromethyl)benzenesulfonyl chloride?
The IUPAC name of carbon dioxide;4-ethoxy-3-(trifluoromethyl)benzenesulfonyl chloride (CID 160634614) is carbon dioxide;4-ethoxy-3-(trifluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for carbon dioxide;4-ethoxy-3-(trifluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for carbon dioxide;4-ethoxy-3-(trifluoromethyl)benzenesulfonyl chloride is CCOc1ccc(S(=O)(=O)Cl)cc1C(F)(F)F.O=C=O.
What is the InChIKey of carbon dioxide;4-ethoxy-3-(trifluoromethyl)benzenesulfonyl chloride?
The InChIKey is RIJJRIHJMSQHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O3S.CO2/c1-2-16-8-4-3-6(17(10,14)15)5-7(8)9(11,12)13;2-1-3/h3-5H,2H2,1H3;.
What are the key properties of carbon dioxide;4-ethoxy-3-(trifluoromethyl)benzenesulfonyl chloride?
carbon dioxide;4-ethoxy-3-(trifluoromethyl)benzenesulfonyl chloride has a molecular weight of 332.68 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;4-ethoxy-3-(trifluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 160634614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).