2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide

C13H19Cl3N2O2S — CID 90737311

IUPAC2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide
SMILESCNCCCCCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl3N2O2S/c1-17-6-4-2-3-5-7-18-21(19,20)13-11(15)8-10(14)9-12(13)16/h8-9,17-18H,2-7H2,1H3
InChIKeyJMMGOFYYOJUMJF-UHFFFAOYSA-N
MW373.73 g/mol
LogP3.70
Rot. Bonds9

About 2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide

2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide (PubChem CID 90737311) has the molecular formula C13H19Cl3N2O2S and a molecular weight of 373.73 g/mol. Its IUPAC name is 2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide
PubChem CID90737311
Molecular FormulaC13H19Cl3N2O2S
Molecular Weight373.73 g/mol
Exact Mass372.02
IUPAC Name2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide
SMILESCNCCCCCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C13H19Cl3N2O2S/c1-17-6-4-2-3-5-7-18-21(19,20)13-11(15)8-10(14)9-12(13)16/h8-9,17-18H,2-7H2,1H3
InChIKeyJMMGOFYYOJUMJF-UHFFFAOYSA-N
XLogP3.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.73
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605913
2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43606022
3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605915
2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039704
1-(3,5-dichlorophenyl)-N-[3-(methylamino)propyl]methanesulfonamide
CID 119964749
2,4,6-trichloro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616458
N-methyl-4-(2,4,6-trichlorophenyl)butan-1-amine
CID 105350377
3-chloro-N-[3-(methylamino)propyl]-5-(trifluoromethyl)benzenesulfonamide
CID 120707228
2,4,6-trichloro-N-prop-2-enylbenzenesulfonamide
CID 61060580
methyl 2-[(2,4,6-trichlorophenyl)sulfonylamino]acetate
CID 43624222
2,4,6-trichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 47087293
2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 43255658

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide (CID 90737311) is 2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide is CNCCCCCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide?
The InChIKey is JMMGOFYYOJUMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl3N2O2S/c1-17-6-4-2-3-5-7-18-21(19,20)13-11(15)8-10(14)9-12(13)16/h8-9,17-18H,2-7H2,1H3.
What are the key properties of 2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide?
2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide has a molecular weight of 373.73 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide is sourced from PubChem (CID 90737311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).