1,1,2,2,3,3,4,4-octafluoro-N,N,N',N'-tetrakis(prop-2-enyl)butane-1,4-disulfonamide

C16H20F8N2O4S2 — CID 154637641

IUPAC1,1,2,2,3,3,4,4-octafluoro-N,N,N',N'-tetrakis(prop-2-enyl)butane-1,4-disulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N(CC=C)CC=C
InChIInChI=1S/C16H20F8N2O4S2/c1-5-9-25(10-6-2)31(27,28)15(21,22)13(17,18)14(19,20)16(23,24)32(29,30)26(11-7-3)12-8-4/h5-8H,1-4,9-12H2
InChIKeyQMPXXEQAMYCERD-UHFFFAOYSA-N
MW520.46 g/mol
LogP3.45
Rot. Bonds15

About 1,1,2,2,3,3,4,4-octafluoro-N,N,N',N'-tetrakis(prop-2-enyl)butane-1,4-disulfonamide

1,1,2,2,3,3,4,4-octafluoro-N,N,N',N'-tetrakis(prop-2-enyl)butane-1,4-disulfonamide (PubChem CID 154637641) has the molecular formula C16H20F8N2O4S2 and a molecular weight of 520.46 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-N,N,N',N'-tetrakis(prop-2-enyl)butane-1,4-disulfonamide.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-N,N,N',N'-tetrakis(prop-2-enyl)butane-1,4-disulfonamide
PubChem CID154637641
Molecular FormulaC16H20F8N2O4S2
Molecular Weight520.46 g/mol
Exact Mass520.07
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-N,N,N',N'-tetrakis(prop-2-enyl)butane-1,4-disulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N(CC=C)CC=C
InChIInChI=1S/C16H20F8N2O4S2/c1-5-9-25(10-6-2)31(27,28)15(21,22)13(17,18)14(19,20)16(23,24)32(29,30)26(11-7-3)12-8-4/h5-8H,1-4,9-12H2
InChIKeyQMPXXEQAMYCERD-UHFFFAOYSA-N
XLogP3.45
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,2,2,3,3,4,4-octafluoro-N,N,N',N'-tetrakis(prop-2-enyl)butane-1,4-disulfonamide 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

2-[carboxymethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetic acid
CID 165363438
N-ethenyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-propyloctane-1-sulfonamide
CID 88501272
1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-N-(3-oxopropyl)butane-1-sulfonamide
CID 163324775
N,N-bis(prop-2-enyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154273
2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethyl prop-2-enoate;2-methylprop-2-enoic acid
CID 160544595
2-[prop-2-enyl(4,4,4-trifluorobutylsulfonyl)amino]acetic acid
CID 83068108
1,1-difluoro-N-(2-hydroxyethyl)-N-prop-2-enylmethanesulfonamide
CID 115754602
N-(cyanomethyl)-1,1,1-trifluoro-N-pent-4-enylmethanesulfonamide
CID 162534763
N-(3-ethenoxypropyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-methyloctane-1-sulfonamide
CID 165363524
1-bromo-N-ethyl-N-prop-2-enylmethanesulfonamide
CID 83085587
3-[2-[3-[dimethyl(oxido)azaniumyl]propyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]-N,N-dimethylpropan-1-amine oxide
CID 165364433
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(4-hydroxybutyl)octane-1-sulfonamide
CID 54141901

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-N,N,N',N'-tetrakis(prop-2-enyl)butane-1,4-disulfonamide?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-N,N,N',N'-tetrakis(prop-2-enyl)butane-1,4-disulfonamide (CID 154637641) is 1,1,2,2,3,3,4,4-octafluoro-N,N,N',N'-tetrakis(prop-2-enyl)butane-1,4-disulfonamide.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-N,N,N',N'-tetrakis(prop-2-enyl)butane-1,4-disulfonamide?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-N,N,N',N'-tetrakis(prop-2-enyl)butane-1,4-disulfonamide is C=CCN(CC=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N(CC=C)CC=C.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-N,N,N',N'-tetrakis(prop-2-enyl)butane-1,4-disulfonamide?
The InChIKey is QMPXXEQAMYCERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F8N2O4S2/c1-5-9-25(10-6-2)31(27,28)15(21,22)13(17,18)14(19,20)16(23,24)32(29,30)26(11-7-3)12-8-4/h5-8H,1-4,9-12H2.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-N,N,N',N'-tetrakis(prop-2-enyl)butane-1,4-disulfonamide?
1,1,2,2,3,3,4,4-octafluoro-N,N,N',N'-tetrakis(prop-2-enyl)butane-1,4-disulfonamide has a molecular weight of 520.46 g/mol, XLogP of 3.45, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluoro-N,N,N',N'-tetrakis(prop-2-enyl)butane-1,4-disulfonamide is sourced from PubChem (CID 154637641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).