N,N'-bis(9-cyanononyl)methanedisulfonamide

C21H40N4O4S2 — CID 161288415

IUPACN,N'-bis(9-cyanononyl)methanedisulfonamide
SMILESN#CCCCCCCCCCNS(=O)(=O)CS(=O)(=O)NCCCCCCCCCC#N
InChIInChI=1S/C21H40N4O4S2/c22-17-13-9-5-1-3-7-11-15-19-24-30(26,27)21-31(28,29)25-20-16-12-8-4-2-6-10-14-18-23/h24-25H,1-16,19-21H2
InChIKeyVGAJKRQDZYZLNC-UHFFFAOYSA-N
MW476.71 g/mol
LogP4.07
Rot. Bonds22

About N,N'-bis(9-cyanononyl)methanedisulfonamide

N,N'-bis(9-cyanononyl)methanedisulfonamide (PubChem CID 161288415) has the molecular formula C21H40N4O4S2 and a molecular weight of 476.71 g/mol. Its IUPAC name is N,N'-bis(9-cyanononyl)methanedisulfonamide.

Molecular Properties

Compound NameN,N'-bis(9-cyanononyl)methanedisulfonamide
PubChem CID161288415
Molecular FormulaC21H40N4O4S2
Molecular Weight476.71 g/mol
Exact Mass476.25
IUPAC NameN,N'-bis(9-cyanononyl)methanedisulfonamide
SMILESN#CCCCCCCCCCNS(=O)(=O)CS(=O)(=O)NCCCCCCCCCC#N
InChIInChI=1S/C21H40N4O4S2/c22-17-13-9-5-1-3-7-11-15-19-24-30(26,27)21-31(28,29)25-20-16-12-8-4-2-6-10-14-18-23/h24-25H,1-16,19-21H2
InChIKeyVGAJKRQDZYZLNC-UHFFFAOYSA-N
XLogP4.07
TPSA139.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.71
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(10-cyanodecyl)decane-1-sulfonamide
CID 152541431
1-cyano-4-(sulfamoylamino)butane
CID 112689559
1-cyano-4-(dimethylsulfamoylamino)butane
CID 63297084
5-(ethylsulfamoylamino)pentanenitrile
CID 115638449
1-N,1-N',1-N",2-N-tetrakis(10-cyanodecyl)propane-1,1,1,2-tetrasulfonamide
CID 157401334
1-N,1-N',1-N",2-N-tetrakis(3-cyanopropyl)ethane-1,1,1,2-tetrasulfonamide
CID 159972367
5-(tert-butylsulfamoylamino)pentanenitrile
CID 114807938
1-N,1-N'-bis(10-cyanodecyl)decane-1,1-disulfonamide
CID 157421795
1-N,2-N,3-N-tris(6-cyanohexyl)benzene-1,2,3-trisulfonamide
CID 161168550
N,N'-dihexadecylmethanedisulfonamide
CID 140586841
N-(3-cyanopropyl)-3-methoxypropane-1-sulfonamide
CID 63290049
N-(4-cyanobutyl)-1-(4-nitrophenyl)methanesulfonamide
CID 63297230

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(9-cyanononyl)methanedisulfonamide?
The IUPAC name of N,N'-bis(9-cyanononyl)methanedisulfonamide (CID 161288415) is N,N'-bis(9-cyanononyl)methanedisulfonamide.
What is the SMILES notation for N,N'-bis(9-cyanononyl)methanedisulfonamide?
The canonical SMILES for N,N'-bis(9-cyanononyl)methanedisulfonamide is N#CCCCCCCCCCNS(=O)(=O)CS(=O)(=O)NCCCCCCCCCC#N.
What is the InChIKey of N,N'-bis(9-cyanononyl)methanedisulfonamide?
The InChIKey is VGAJKRQDZYZLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4O4S2/c22-17-13-9-5-1-3-7-11-15-19-24-30(26,27)21-31(28,29)25-20-16-12-8-4-2-6-10-14-18-23/h24-25H,1-16,19-21H2.
What are the key properties of N,N'-bis(9-cyanononyl)methanedisulfonamide?
N,N'-bis(9-cyanononyl)methanedisulfonamide has a molecular weight of 476.71 g/mol, XLogP of 4.07, 22 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(9-cyanononyl)methanedisulfonamide is sourced from PubChem (CID 161288415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).