2,5-dimethyl-N-undecylbenzenesulfonamide

C19H33NO2S — CID 19681448

IUPAC2,5-dimethyl-N-undecylbenzenesulfonamide
SMILESCCCCCCCCCCCNS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C19H33NO2S/c1-4-5-6-7-8-9-10-11-12-15-20-23(21,22)19-16-17(2)13-14-18(19)3/h13-14,16,20H,4-12,15H2,1-3H3
InChIKeyQCDOKAADSATMLR-UHFFFAOYSA-N
MW339.55 g/mol
LogP5.11
Rot. Bonds12

About 2,5-dimethyl-N-undecylbenzenesulfonamide

2,5-dimethyl-N-undecylbenzenesulfonamide (PubChem CID 19681448) has the molecular formula C19H33NO2S and a molecular weight of 339.55 g/mol. Its IUPAC name is 2,5-dimethyl-N-undecylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-undecylbenzenesulfonamide
PubChem CID19681448
Molecular FormulaC19H33NO2S
Molecular Weight339.55 g/mol
Exact Mass339.22
IUPAC Name2,5-dimethyl-N-undecylbenzenesulfonamide
SMILESCCCCCCCCCCCNS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C19H33NO2S/c1-4-5-6-7-8-9-10-11-12-15-20-23(21,22)19-16-17(2)13-14-18(19)3/h13-14,16,20H,4-12,15H2,1-3H3
InChIKeyQCDOKAADSATMLR-UHFFFAOYSA-N
XLogP5.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.55
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-N-undecylbenzenesulfonamide 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

N-decyl-2,5-dimethylbenzenesulfonamide
CID 19681411
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
N-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide
CID 114008809
N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide
CID 43606579
4-methyl-3-(octylsulfamoyl)benzoic acid
CID 100820248
2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119965080
4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide
CID 19681262
2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
CID 2439946
N-(4-hydroxypentyl)-2,5-dimethylbenzenesulfonamide
CID 107271098
2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide
CID 59079350
N-[3-(2-aminoethoxy)propyl]-2,5-dimethylbenzenesulfonamide
CID 106308141
N-(2-aminopentyl)-2,5-dimethylbenzenesulfonamide
CID 115752625

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-undecylbenzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-undecylbenzenesulfonamide (CID 19681448) is 2,5-dimethyl-N-undecylbenzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-undecylbenzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-undecylbenzenesulfonamide is CCCCCCCCCCCNS(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of 2,5-dimethyl-N-undecylbenzenesulfonamide?
The InChIKey is QCDOKAADSATMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2S/c1-4-5-6-7-8-9-10-11-12-15-20-23(21,22)19-16-17(2)13-14-18(19)3/h13-14,16,20H,4-12,15H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-undecylbenzenesulfonamide?
2,5-dimethyl-N-undecylbenzenesulfonamide has a molecular weight of 339.55 g/mol, XLogP of 5.11, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-undecylbenzenesulfonamide is sourced from PubChem (CID 19681448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).