N,N-bis(9-cyanononyl)nonane-1-sulfonamide

C29H55N3O2S — CID 161312679

IUPACN,N-bis(9-cyanononyl)nonane-1-sulfonamide
SMILESCCCCCCCCCS(=O)(=O)N(CCCCCCCCCC#N)CCCCCCCCCC#N
InChIInChI=1S/C29H55N3O2S/c1-2-3-4-5-14-19-24-29-35(33,34)32(27-22-17-12-8-6-10-15-20-25-30)28-23-18-13-9-7-11-16-21-26-31/h2-24,27-29H2,1H3
InChIKeyVJCDIRCUPMGMCL-UHFFFAOYSA-N
MW509.85 g/mol
LogP8.66
Rot. Bonds27

About N,N-bis(9-cyanononyl)nonane-1-sulfonamide

N,N-bis(9-cyanononyl)nonane-1-sulfonamide (PubChem CID 161312679) has the molecular formula C29H55N3O2S and a molecular weight of 509.85 g/mol. Its IUPAC name is N,N-bis(9-cyanononyl)nonane-1-sulfonamide.

Molecular Properties

Compound NameN,N-bis(9-cyanononyl)nonane-1-sulfonamide
PubChem CID161312679
Molecular FormulaC29H55N3O2S
Molecular Weight509.85 g/mol
Exact Mass509.40
IUPAC NameN,N-bis(9-cyanononyl)nonane-1-sulfonamide
SMILESCCCCCCCCCS(=O)(=O)N(CCCCCCCCCC#N)CCCCCCCCCC#N
InChIInChI=1S/C29H55N3O2S/c1-2-3-4-5-14-19-24-29-35(33,34)32(27-22-17-12-8-6-10-15-20-25-30)28-23-18-13-9-7-11-16-21-26-31/h2-24,27-29H2,1H3
InChIKeyVJCDIRCUPMGMCL-UHFFFAOYSA-N
XLogP8.66
TPSA84.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.85
LogP ≤ 58.66
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

N,N-bis(6-cyanohexyl)pentane-1-sulfonamide
CID 161351187
N,N-bis(7-cyanoheptyl)heptane-1-sulfonamide
CID 172815352
N,N-dioctyldodecane-1-sulfonamide
CID 15510197
N-ethyl-N-octyloctane-1-sulfonamide
CID 176689597
1-N,1-N,1-N',1-N'-tetrakis(9-cyanononyl)hexane-1,1-disulfonamide
CID 172854065
N,N-dipentylethanesulfonamide
CID 3453334
2-N,2-N,3-N,3-N-tetrakis(8-cyanooctyl)butane-2,3-disulfonamide
CID 160746486
16-(dihexadecylamino)hexadecanenitrile
CID 139661963
N,N,N',N'-tetrahexylmethanedisulfonamide
CID 140586824
undecanenitrile
CID 16722
octadecanenitrile
CID 12532
N-(10-cyanodecyl)decane-1-sulfonamide
CID 152541431

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9-cyanononyl)nonane-1-sulfonamide?
The IUPAC name of N,N-bis(9-cyanononyl)nonane-1-sulfonamide (CID 161312679) is N,N-bis(9-cyanononyl)nonane-1-sulfonamide.
What is the SMILES notation for N,N-bis(9-cyanononyl)nonane-1-sulfonamide?
The canonical SMILES for N,N-bis(9-cyanononyl)nonane-1-sulfonamide is CCCCCCCCCS(=O)(=O)N(CCCCCCCCCC#N)CCCCCCCCCC#N.
What is the InChIKey of N,N-bis(9-cyanononyl)nonane-1-sulfonamide?
The InChIKey is VJCDIRCUPMGMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H55N3O2S/c1-2-3-4-5-14-19-24-29-35(33,34)32(27-22-17-12-8-6-10-15-20-25-30)28-23-18-13-9-7-11-16-21-26-31/h2-24,27-29H2,1H3.
What are the key properties of N,N-bis(9-cyanononyl)nonane-1-sulfonamide?
N,N-bis(9-cyanononyl)nonane-1-sulfonamide has a molecular weight of 509.85 g/mol, XLogP of 8.66, 27 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9-cyanononyl)nonane-1-sulfonamide is sourced from PubChem (CID 161312679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).