2,3,4,5,6-pentamethyl-N-nonylbenzenesulfonamide

C20H35NO2S — CID 19681388

IUPAC2,3,4,5,6-pentamethyl-N-nonylbenzenesulfonamide
SMILESCCCCCCCCCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C20H35NO2S/c1-7-8-9-10-11-12-13-14-21-24(22,23)20-18(5)16(3)15(2)17(4)19(20)6/h21H,7-14H2,1-6H3
InChIKeyGIRGGXASYSLVRD-UHFFFAOYSA-N
MW353.57 g/mol
LogP5.26
Rot. Bonds10

About 2,3,4,5,6-pentamethyl-N-nonylbenzenesulfonamide

2,3,4,5,6-pentamethyl-N-nonylbenzenesulfonamide (PubChem CID 19681388) has the molecular formula C20H35NO2S and a molecular weight of 353.57 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-N-nonylbenzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-N-nonylbenzenesulfonamide
PubChem CID19681388
Molecular FormulaC20H35NO2S
Molecular Weight353.57 g/mol
Exact Mass353.24
IUPAC Name2,3,4,5,6-pentamethyl-N-nonylbenzenesulfonamide
SMILESCCCCCCCCCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C20H35NO2S/c1-7-8-9-10-11-12-13-14-21-24(22,23)20-18(5)16(3)15(2)17(4)19(20)6/h21H,7-14H2,1-6H3
InChIKeyGIRGGXASYSLVRD-UHFFFAOYSA-N
XLogP5.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.57
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,5,6-pentamethyl-N-octylbenzenesulfonamide
CID 19681352
N-hexyl-2,3,5,6-tetramethylbenzenesulfonamide
CID 19681252
N-(4-aminobutyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 120583696
3-amino-2,6-dimethyl-N-octylbenzenesulfonamide
CID 115566101
3-amino-2,5,6-trimethyl-N-pentylbenzenesulfonamide
CID 106503609
4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide
CID 107327354
N-[3-(dimethylamino)propyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 2804483
N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43402443
4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]butanoic acid
CID 43091508
2-amino-N-hexyl-6-methylbenzenesulfonamide
CID 61110838
N-tridecylbenzenesulfonamide
CID 3514704
N,N'-dihexadecylmethanedisulfonamide
CID 140586841

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-N-nonylbenzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentamethyl-N-nonylbenzenesulfonamide (CID 19681388) is 2,3,4,5,6-pentamethyl-N-nonylbenzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-N-nonylbenzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentamethyl-N-nonylbenzenesulfonamide is CCCCCCCCCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of 2,3,4,5,6-pentamethyl-N-nonylbenzenesulfonamide?
The InChIKey is GIRGGXASYSLVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2S/c1-7-8-9-10-11-12-13-14-21-24(22,23)20-18(5)16(3)15(2)17(4)19(20)6/h21H,7-14H2,1-6H3.
What are the key properties of 2,3,4,5,6-pentamethyl-N-nonylbenzenesulfonamide?
2,3,4,5,6-pentamethyl-N-nonylbenzenesulfonamide has a molecular weight of 353.57 g/mol, XLogP of 5.26, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-N-nonylbenzenesulfonamide is sourced from PubChem (CID 19681388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).