1-ethylsulfonyl-N-(1-ethylsulfonyl-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-amine

C16H13F10NO4S2 — CID 172756898

IUPAC1-ethylsulfonyl-N-(1-ethylsulfonyl-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-amine
SMILESCCS(=O)(=O)C1(NC2(S(=O)(=O)CC)C(F)=C(F)C(F)=C(F)C2F)C(F)=C(F)C(F)=C(F)C1F
InChIInChI=1S/C16H13F10NO4S2/c1-3-32(28,29)15(11(23)7(19)5(17)8(20)12(15)24)27-16(33(30,31)4-2)13(25)9(21)6(18)10(22)14(16)26/h11,13,27H,3-4H2,1-2H3
InChIKeyOLINEGKOTULHEJ-UHFFFAOYSA-N
MW537.40 g/mol
LogP4.14
Rot. Bonds6

About 1-ethylsulfonyl-N-(1-ethylsulfonyl-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-amine

1-ethylsulfonyl-N-(1-ethylsulfonyl-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-amine (PubChem CID 172756898) has the molecular formula C16H13F10NO4S2 and a molecular weight of 537.40 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(1-ethylsulfonyl-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(1-ethylsulfonyl-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-amine
PubChem CID172756898
Molecular FormulaC16H13F10NO4S2
Molecular Weight537.40 g/mol
Exact Mass537.01
IUPAC Name1-ethylsulfonyl-N-(1-ethylsulfonyl-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-amine
SMILESCCS(=O)(=O)C1(NC2(S(=O)(=O)CC)C(F)=C(F)C(F)=C(F)C2F)C(F)=C(F)C(F)=C(F)C1F
InChIInChI=1S/C16H13F10NO4S2/c1-3-32(28,29)15(11(23)7(19)5(17)8(20)12(15)24)27-16(33(30,31)4-2)13(25)9(21)6(18)10(22)14(16)26/h11,13,27H,3-4H2,1-2H3
InChIKeyOLINEGKOTULHEJ-UHFFFAOYSA-N
XLogP4.14
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethylsulfonyl-N-(1-ethylsulfonyl-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(1-ethylsulfonyl-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-ethylsulfonyl-N-(1-ethylsulfonyl-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-amine (CID 172756898) is 1-ethylsulfonyl-N-(1-ethylsulfonyl-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-(1-ethylsulfonyl-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-ethylsulfonyl-N-(1-ethylsulfonyl-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-amine is CCS(=O)(=O)C1(NC2(S(=O)(=O)CC)C(F)=C(F)C(F)=C(F)C2F)C(F)=C(F)C(F)=C(F)C1F.
What is the InChIKey of 1-ethylsulfonyl-N-(1-ethylsulfonyl-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-amine?
The InChIKey is OLINEGKOTULHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F10NO4S2/c1-3-32(28,29)15(11(23)7(19)5(17)8(20)12(15)24)27-16(33(30,31)4-2)13(25)9(21)6(18)10(22)14(16)26/h11,13,27H,3-4H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-N-(1-ethylsulfonyl-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-amine?
1-ethylsulfonyl-N-(1-ethylsulfonyl-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-amine has a molecular weight of 537.40 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(1-ethylsulfonyl-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-yl)-2,3,4,5,6-pentafluorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 172756898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).