N,N-bis(10-cyanodecyl)sulfamoyl fluoride

C22H40FN3O2S — CID 160893521

IUPACN,N-bis(10-cyanodecyl)sulfamoyl fluoride
SMILESN#CCCCCCCCCCCN(CCCCCCCCCCC#N)S(=O)(=O)F
InChIInChI=1S/C22H40FN3O2S/c23-29(27,28)26(21-17-13-9-5-1-3-7-11-15-19-24)22-18-14-10-6-2-4-8-12-16-20-25/h1-18,21-22H2
InChIKeySOOQZZCGOPREFU-UHFFFAOYSA-N
MW429.65 g/mol
LogP6.57
Rot. Bonds21

About N,N-bis(10-cyanodecyl)sulfamoyl fluoride

N,N-bis(10-cyanodecyl)sulfamoyl fluoride (PubChem CID 160893521) has the molecular formula C22H40FN3O2S and a molecular weight of 429.65 g/mol. Its IUPAC name is N,N-bis(10-cyanodecyl)sulfamoyl fluoride.

Molecular Properties

Compound NameN,N-bis(10-cyanodecyl)sulfamoyl fluoride
PubChem CID160893521
Molecular FormulaC22H40FN3O2S
Molecular Weight429.65 g/mol
Exact Mass429.28
IUPAC NameN,N-bis(10-cyanodecyl)sulfamoyl fluoride
SMILESN#CCCCCCCCCCCN(CCCCCCCCCCC#N)S(=O)(=O)F
InChIInChI=1S/C22H40FN3O2S/c23-29(27,28)26(21-17-13-9-5-1-3-7-11-15-19-24)22-18-14-10-6-2-4-8-12-16-20-25/h1-18,21-22H2
InChIKeySOOQZZCGOPREFU-UHFFFAOYSA-N
XLogP6.57
TPSA84.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.65
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-N,3-N,3-N-tetrakis(8-cyanooctyl)butane-2,3-disulfonamide
CID 160746486
2-N,2-N,2-N',2-N'-tetrakis(8-cyanooctyl)propane-2,2-disulfonamide
CID 159752075
6-[di(propan-2-yl)amino]hexanenitrile
CID 151784240
N,N,N',N'-tetrakis(7-cyanoheptyl)-1-phenylmethanedisulfonamide
CID 159335423
N,N-bis(6-cyanohexyl)pentane-1-sulfonamide
CID 161351187
N,N-bis(9-cyanononyl)nonane-1-sulfonamide
CID 161312679
N,N-bis(7-cyanoheptyl)heptane-1-sulfonamide
CID 172815352
1-N,1-N,1-N',1-N'-tetrakis(9-cyanononyl)hexane-1,1-disulfonamide
CID 172854065
henicosanedinitrile
CID 87345062
1-N,1-N,1-N',1-N'-tetrakis(3-cyanopropyl)ethane-1,1-disulfonamide
CID 161077675
1-N,1-N,2-N,2-N-tetrakis(3-cyanopropyl)benzene-1,2-disulfonamide
CID 157431931
2-[4-cyanobutyl(methyl)amino]propanoic acid
CID 62638342

Frequently Asked Questions

What is the IUPAC name of N,N-bis(10-cyanodecyl)sulfamoyl fluoride?
The IUPAC name of N,N-bis(10-cyanodecyl)sulfamoyl fluoride (CID 160893521) is N,N-bis(10-cyanodecyl)sulfamoyl fluoride.
What is the SMILES notation for N,N-bis(10-cyanodecyl)sulfamoyl fluoride?
The canonical SMILES for N,N-bis(10-cyanodecyl)sulfamoyl fluoride is N#CCCCCCCCCCCN(CCCCCCCCCCC#N)S(=O)(=O)F.
What is the InChIKey of N,N-bis(10-cyanodecyl)sulfamoyl fluoride?
The InChIKey is SOOQZZCGOPREFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40FN3O2S/c23-29(27,28)26(21-17-13-9-5-1-3-7-11-15-19-24)22-18-14-10-6-2-4-8-12-16-20-25/h1-18,21-22H2.
What are the key properties of N,N-bis(10-cyanodecyl)sulfamoyl fluoride?
N,N-bis(10-cyanodecyl)sulfamoyl fluoride has a molecular weight of 429.65 g/mol, XLogP of 6.57, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(10-cyanodecyl)sulfamoyl fluoride is sourced from PubChem (CID 160893521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).