N-decyl-2,5-dimethylbenzenesulfonamide

C18H31NO2S — CID 19681411

IUPACN-decyl-2,5-dimethylbenzenesulfonamide
SMILESCCCCCCCCCCNS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C18H31NO2S/c1-4-5-6-7-8-9-10-11-14-19-22(20,21)18-15-16(2)12-13-17(18)3/h12-13,15,19H,4-11,14H2,1-3H3
InChIKeyZZSBSKGXGLQNAS-UHFFFAOYSA-N
MW325.52 g/mol
LogP4.72
Rot. Bonds11

About N-decyl-2,5-dimethylbenzenesulfonamide

N-decyl-2,5-dimethylbenzenesulfonamide (PubChem CID 19681411) has the molecular formula C18H31NO2S and a molecular weight of 325.52 g/mol. Its IUPAC name is N-decyl-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-decyl-2,5-dimethylbenzenesulfonamide
PubChem CID19681411
Molecular FormulaC18H31NO2S
Molecular Weight325.52 g/mol
Exact Mass325.21
IUPAC NameN-decyl-2,5-dimethylbenzenesulfonamide
SMILESCCCCCCCCCCNS(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C18H31NO2S/c1-4-5-6-7-8-9-10-11-14-19-22(20,21)18-15-16(2)12-13-17(18)3/h12-13,15,19H,4-11,14H2,1-3H3
InChIKeyZZSBSKGXGLQNAS-UHFFFAOYSA-N
XLogP4.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.52
LogP ≤ 54.72
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

2,5-dimethyl-N-undecylbenzenesulfonamide
CID 19681448
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 N-decyl-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-decyl-2,5-dimethylbenzenesulfonamide (CID 19681411) is N-decyl-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-decyl-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-decyl-2,5-dimethylbenzenesulfonamide is CCCCCCCCCCNS(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N-decyl-2,5-dimethylbenzenesulfonamide?
The InChIKey is ZZSBSKGXGLQNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2S/c1-4-5-6-7-8-9-10-11-14-19-22(20,21)18-15-16(2)12-13-17(18)3/h12-13,15,19H,4-11,14H2,1-3H3.
What are the key properties of N-decyl-2,5-dimethylbenzenesulfonamide?
N-decyl-2,5-dimethylbenzenesulfonamide has a molecular weight of 325.52 g/mol, XLogP of 4.72, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 19681411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).