4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide

C14H22ClNO2S — CID 19681262

IUPAC4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide
SMILESCCCCCCNS(=O)(=O)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C14H22ClNO2S/c1-4-5-6-7-8-16-19(17,18)14-10-11(2)13(15)9-12(14)3/h9-10,16H,4-8H2,1-3H3
InChIKeyWUJFZPDXVYKLOF-UHFFFAOYSA-N
MW303.86 g/mol
LogP3.82
Rot. Bonds7

About 4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide

4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide (PubChem CID 19681262) has the molecular formula C14H22ClNO2S and a molecular weight of 303.86 g/mol. Its IUPAC name is 4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide
PubChem CID19681262
Molecular FormulaC14H22ClNO2S
Molecular Weight303.86 g/mol
Exact Mass303.11
IUPAC Name4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide
SMILESCCCCCCNS(=O)(=O)c1cc(C)c(Cl)cc1C
InChIInChI=1S/C14H22ClNO2S/c1-4-5-6-7-8-16-19(17,18)14-10-11(2)13(15)9-12(14)3/h9-10,16H,4-8H2,1-3H3
InChIKeyWUJFZPDXVYKLOF-UHFFFAOYSA-N
XLogP3.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.86
LogP ≤ 53.82
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-dichloro-N-dodecyl-4-methylbenzenesulfonamide
CID 59079350
4-chloro-N-hexyl-2-methyl-5-nitrobenzenesulfonamide
CID 81041576
N-decyl-2,5-dimethylbenzenesulfonamide
CID 19681411
2,5-dimethyl-N-undecylbenzenesulfonamide
CID 19681448
4-chloro-2,5-dimethyl-N-octan-2-ylbenzenesulfonamide
CID 19684239
4-chloro-N-(2-ethylhexyl)-2,5-dimethylbenzenesulfonamide
CID 19681669
2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide
CID 3830031
4-chloro-N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-2,5-dimethylbenzenesulfonamide
CID 22207456
4-chloro-2,5-dimethyl-N-[3-(5-methylpyrazol-1-yl)propyl]benzenesulfonamide
CID 22207405
4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 3790089
4-chloro-N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)hexyl]-2,5-dimethylbenzenesulfonamide
CID 58859286
4-chloro-N-[2-(3-chlorophenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 19680922

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide (CID 19681262) is 4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide is CCCCCCNS(=O)(=O)c1cc(C)c(Cl)cc1C.
What is the InChIKey of 4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide?
The InChIKey is WUJFZPDXVYKLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2S/c1-4-5-6-7-8-16-19(17,18)14-10-11(2)13(15)9-12(14)3/h9-10,16H,4-8H2,1-3H3.
What are the key properties of 4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide?
4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide has a molecular weight of 303.86 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 19681262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).