bis(1,1-difluoroethylsulfonyl)azanide;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl)-diphenylsulfanium;[1,1-difluoroethylsulfanyl(difluoro)methyl]sulfonyl-(1,1,3,3-tetrafluorobutylsulfonyl)azanide;bis(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide)

C95H108F24N4O19S13 — CID 158904163

About bis(1,1-difluoroethylsulfonyl)azanide;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl)-diphenylsulfanium;[1,1-difluoroethylsulfanyl(difluoro)methyl]sulfonyl-(1,1,3,3-tetrafluorobutylsulfonyl)azanide;bis(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide)

bis(1,1-difluoroethylsulfonyl)azanide;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl)-diphenylsulfanium;[1,1-difluoroethylsulfanyl(difluoro)methyl]sulfonyl-(1,1,3,3-tetrafluorobutylsulfonyl)azanide;bis(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide) (PubChem CID 158904163) has the molecular formula C95H108F24N4O19S13 and a molecular weight of 2482.74 g/mol. Its IUPAC name is bis(1,1-difluoroethylsulfonyl)azanide;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl)-diphenylsulfanium;[1,1-difluoroethylsulfanyl(difluoro)methyl]sulfonyl-(1,1,3,3-tetrafluorobutylsulfonyl)azanide;bis(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide).

Molecular Properties

• Compound Name: bis(1,1-difluoroethylsulfonyl)azanide;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl)-diphenylsulfanium;[1,1-difluoroethylsulfanyl(difluoro)methyl]sulfonyl-(1,1,3,3-tetrafluorobutylsulfonyl)azanide;bis(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide)
• PubChem CID: 158904163
• Molecular Formula: C95H108F24N4O19S13
• Molecular Weight: 2482.74 g/mol
• Exact Mass: 2480.36
• IUPAC Name: bis(1,1-difluoroethylsulfonyl)azanide;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl)-diphenylsulfanium;[1,1-difluoroethylsulfanyl(difluoro)methyl]sulfonyl-(1,1,3,3-tetrafluorobutylsulfonyl)azanide;bis(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide)
• SMILES: CC(F)(F)CC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)SC(C)(F)F.CC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(C)(F)F.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1
• InChI: InChI=1S/C24H25S.3C18H23OS.C7H8F8NO4S3.C4H6F4NO4S2.2C3F6NO4S2/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;3*1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-4(8,9)3-6(12,13)22(17,18)16-23(19,20)7(14,15)21-5(2,10)11;1-3(5,6)14(10,11)9-15(12,13)4(2,7)8;2*4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h2-3,6-9,12-20H,1,4-5,10-11H2;3*4-5,8-11H,2-3,6-7,12-14H2,1H3;3H2,1-2H3;1-2H3;;/q4*+1;4*-1
• InChIKey: JFVFJLOYSFBGCE-UHFFFAOYSA-N
• XLogP: 27.71
• TPSA: 357.21 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 31
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2482.74
LogP ≤ 5	27.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(1,1-difluoroethylsulfonyl)azanide;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl)-diphenylsulfanium;[1,1-difluoroethylsulfanyl(difluoro)methyl]sulfonyl-(1,1,3,3-tetrafluorobutylsulfonyl)azanide;bis(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide)?

The IUPAC name of bis(1,1-difluoroethylsulfonyl)azanide;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl)-diphenylsulfanium;[1,1-difluoroethylsulfanyl(difluoro)methyl]sulfonyl-(1,1,3,3-tetrafluorobutylsulfonyl)azanide;bis(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide) (CID 158904163) is bis(1,1-difluoroethylsulfonyl)azanide;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl)-diphenylsulfanium;[1,1-difluoroethylsulfanyl(difluoro)methyl]sulfonyl-(1,1,3,3-tetrafluorobutylsulfonyl)azanide;bis(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide).

What is the SMILES notation for bis(1,1-difluoroethylsulfonyl)azanide;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl)-diphenylsulfanium;[1,1-difluoroethylsulfanyl(difluoro)methyl]sulfonyl-(1,1,3,3-tetrafluorobutylsulfonyl)azanide;bis(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide)?

The canonical SMILES for bis(1,1-difluoroethylsulfonyl)azanide;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl)-diphenylsulfanium;[1,1-difluoroethylsulfanyl(difluoro)methyl]sulfonyl-(1,1,3,3-tetrafluorobutylsulfonyl)azanide;bis(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide) is CC(F)(F)CC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)SC(C)(F)F.CC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(C)(F)F.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.

What is the InChIKey of bis(1,1-difluoroethylsulfonyl)azanide;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl)-diphenylsulfanium;[1,1-difluoroethylsulfanyl(difluoro)methyl]sulfonyl-(1,1,3,3-tetrafluorobutylsulfonyl)azanide;bis(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide)?

The InChIKey is JFVFJLOYSFBGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25S.3C18H23OS.C7H8F8NO4S3.C4H6F4NO4S2.2C3F6NO4S2/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;3*1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-4(8,9)3-6(12,13)22(17,18)16-23(19,20)7(14,15)21-5(2,10)11;1-3(5,6)14(10,11)9-15(12,13)4(2,7)8;2*4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h2-3,6-9,12-20H,1,4-5,10-11H2;3*4-5,8-11H,2-3,6-7,12-14H2,1H3;3H2,1-2H3;1-2H3;;/q4*+1;4*-1.

What are the key properties of bis(1,1-difluoroethylsulfonyl)azanide;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl)-diphenylsulfanium;[1,1-difluoroethylsulfanyl(difluoro)methyl]sulfonyl-(1,1,3,3-tetrafluorobutylsulfonyl)azanide;bis(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide)?

bis(1,1-difluoroethylsulfonyl)azanide;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl)-diphenylsulfanium;[1,1-difluoroethylsulfanyl(difluoro)methyl]sulfonyl-(1,1,3,3-tetrafluorobutylsulfonyl)azanide;bis(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide) has a molecular weight of 2482.74 g/mol, XLogP of 27.71, 31 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,1-difluoroethylsulfonyl)azanide;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);(4-cyclohexylphenyl)-diphenylsulfanium;[1,1-difluoroethylsulfanyl(difluoro)methyl]sulfonyl-(1,1,3,3-tetrafluorobutylsulfonyl)azanide;bis(4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide) is sourced from PubChem (CID 158904163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).