3,5-dichlorobenzenesulfonyl chloride;3,5-difluorobenzenesulfonyl chloride;ethanesulfonyl chloride;4-ethylbenzenesulfonyl chloride;2-fluorobenzenesulfonyl chloride

C28H24Cl7F3O10S5 — CID 161014490

IUPAC3,5-dichlorobenzenesulfonyl chloride;3,5-difluorobenzenesulfonyl chloride;ethanesulfonyl chloride;4-ethylbenzenesulfonyl chloride;2-fluorobenzenesulfonyl chloride
SMILESCCS(=O)(=O)Cl.CCc1ccc(S(=O)(=O)Cl)cc1.O=S(=O)(Cl)c1cc(Cl)cc(Cl)c1.O=S(=O)(Cl)c1cc(F)cc(F)c1.O=S(=O)(Cl)c1ccccc1F
InChIInChI=1S/C8H9ClO2S.C6H3Cl3O2S.C6H3ClF2O2S.C6H4ClFO2S.C2H5ClO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11;7-4-1-5(8)3-6(2-4)12(9,10)11;7-12(10,11)6-2-4(8)1-5(9)3-6;7-11(9,10)6-4-2-1-3-5(6)8;1-2-6(3,4)5/h3-6H,2H2,1H3;2*1-3H;1-4H;2H2,1H3
InChIKeyTXNXJISOGWNGSB-UHFFFAOYSA-N
MW985.99 g/mol
LogP9.32
Rot. Bonds6

About 3,5-dichlorobenzenesulfonyl chloride;3,5-difluorobenzenesulfonyl chloride;ethanesulfonyl chloride;4-ethylbenzenesulfonyl chloride;2-fluorobenzenesulfonyl chloride

3,5-dichlorobenzenesulfonyl chloride;3,5-difluorobenzenesulfonyl chloride;ethanesulfonyl chloride;4-ethylbenzenesulfonyl chloride;2-fluorobenzenesulfonyl chloride (PubChem CID 161014490) has the molecular formula C28H24Cl7F3O10S5 and a molecular weight of 985.99 g/mol. Its IUPAC name is 3,5-dichlorobenzenesulfonyl chloride;3,5-difluorobenzenesulfonyl chloride;ethanesulfonyl chloride;4-ethylbenzenesulfonyl chloride;2-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-dichlorobenzenesulfonyl chloride;3,5-difluorobenzenesulfonyl chloride;ethanesulfonyl chloride;4-ethylbenzenesulfonyl chloride;2-fluorobenzenesulfonyl chloride
PubChem CID161014490
Molecular FormulaC28H24Cl7F3O10S5
Molecular Weight985.99 g/mol
Exact Mass981.77
IUPAC Name3,5-dichlorobenzenesulfonyl chloride;3,5-difluorobenzenesulfonyl chloride;ethanesulfonyl chloride;4-ethylbenzenesulfonyl chloride;2-fluorobenzenesulfonyl chloride
SMILESCCS(=O)(=O)Cl.CCc1ccc(S(=O)(=O)Cl)cc1.O=S(=O)(Cl)c1cc(Cl)cc(Cl)c1.O=S(=O)(Cl)c1cc(F)cc(F)c1.O=S(=O)(Cl)c1ccccc1F
InChIInChI=1S/C8H9ClO2S.C6H3Cl3O2S.C6H3ClF2O2S.C6H4ClFO2S.C2H5ClO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11;7-4-1-5(8)3-6(2-4)12(9,10)11;7-12(10,11)6-2-4(8)1-5(9)3-6;7-11(9,10)6-4-2-1-3-5(6)8;1-2-6(3,4)5/h3-6H,2H2,1H3;2*1-3H;1-4H;2H2,1H3
InChIKeyTXNXJISOGWNGSB-UHFFFAOYSA-N
XLogP9.32
TPSA170.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500985.99
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichlorobenzenesulfonyl chloride;3,5-difluorobenzenesulfonyl chloride;ethanesulfonyl chloride;4-ethylbenzenesulfonyl chloride;2-fluorobenzenesulfonyl chloride?
The IUPAC name of 3,5-dichlorobenzenesulfonyl chloride;3,5-difluorobenzenesulfonyl chloride;ethanesulfonyl chloride;4-ethylbenzenesulfonyl chloride;2-fluorobenzenesulfonyl chloride (CID 161014490) is 3,5-dichlorobenzenesulfonyl chloride;3,5-difluorobenzenesulfonyl chloride;ethanesulfonyl chloride;4-ethylbenzenesulfonyl chloride;2-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 3,5-dichlorobenzenesulfonyl chloride;3,5-difluorobenzenesulfonyl chloride;ethanesulfonyl chloride;4-ethylbenzenesulfonyl chloride;2-fluorobenzenesulfonyl chloride?
The canonical SMILES for 3,5-dichlorobenzenesulfonyl chloride;3,5-difluorobenzenesulfonyl chloride;ethanesulfonyl chloride;4-ethylbenzenesulfonyl chloride;2-fluorobenzenesulfonyl chloride is CCS(=O)(=O)Cl.CCc1ccc(S(=O)(=O)Cl)cc1.O=S(=O)(Cl)c1cc(Cl)cc(Cl)c1.O=S(=O)(Cl)c1cc(F)cc(F)c1.O=S(=O)(Cl)c1ccccc1F.
What is the InChIKey of 3,5-dichlorobenzenesulfonyl chloride;3,5-difluorobenzenesulfonyl chloride;ethanesulfonyl chloride;4-ethylbenzenesulfonyl chloride;2-fluorobenzenesulfonyl chloride?
The InChIKey is TXNXJISOGWNGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2S.C6H3Cl3O2S.C6H3ClF2O2S.C6H4ClFO2S.C2H5ClO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11;7-4-1-5(8)3-6(2-4)12(9,10)11;7-12(10,11)6-2-4(8)1-5(9)3-6;7-11(9,10)6-4-2-1-3-5(6)8;1-2-6(3,4)5/h3-6H,2H2,1H3;2*1-3H;1-4H;2H2,1H3.
What are the key properties of 3,5-dichlorobenzenesulfonyl chloride;3,5-difluorobenzenesulfonyl chloride;ethanesulfonyl chloride;4-ethylbenzenesulfonyl chloride;2-fluorobenzenesulfonyl chloride?
3,5-dichlorobenzenesulfonyl chloride;3,5-difluorobenzenesulfonyl chloride;ethanesulfonyl chloride;4-ethylbenzenesulfonyl chloride;2-fluorobenzenesulfonyl chloride has a molecular weight of 985.99 g/mol, XLogP of 9.32, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichlorobenzenesulfonyl chloride;3,5-difluorobenzenesulfonyl chloride;ethanesulfonyl chloride;4-ethylbenzenesulfonyl chloride;2-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 161014490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).