2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide

C12H16Cl3NO2S — CID 107849099

IUPAC2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCCCl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H16Cl3NO2S/c13-7-3-1-2-4-8-16-19(17,18)12-9-10(14)5-6-11(12)15/h5-6,9,16H,1-4,7-8H2
InChIKeyNNBJNLZAXWFGHA-UHFFFAOYSA-N
MW344.69 g/mol
LogP4.07
Rot. Bonds8

About 2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide

2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide (PubChem CID 107849099) has the molecular formula C12H16Cl3NO2S and a molecular weight of 344.69 g/mol. Its IUPAC name is 2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
PubChem CID107849099
Molecular FormulaC12H16Cl3NO2S
Molecular Weight344.69 g/mol
Exact Mass343.00
IUPAC Name2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCCCl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H16Cl3NO2S/c13-7-3-1-2-4-8-16-19(17,18)12-9-10(14)5-6-11(12)15/h5-6,9,16H,1-4,7-8H2
InChIKeyNNBJNLZAXWFGHA-UHFFFAOYSA-N
XLogP4.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.69
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide
CID 43167077
2,5-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
CID 65033412
4-[(2,5-dichlorophenyl)sulfonylamino]butanethioamide
CID 62668104
3,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
CID 114008802
N-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide
CID 114008809
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
2-chloro-5-fluoro-N-(6-iodohexyl)benzenesulfonamide
CID 107849069
2-amino-5-chloro-N-hexylbenzenesulfonamide
CID 61108372
N-(4-aminobutyl)-2-chloro-5-methylbenzenesulfonamide;hydrochloride
CID 120583388
2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 42388791
N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide
CID 119962290

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide (CID 107849099) is 2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide is O=S(=O)(NCCCCCCCl)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide?
The InChIKey is NNBJNLZAXWFGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl3NO2S/c13-7-3-1-2-4-8-16-19(17,18)12-9-10(14)5-6-11(12)15/h5-6,9,16H,1-4,7-8H2.
What are the key properties of 2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide?
2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide has a molecular weight of 344.69 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide is sourced from PubChem (CID 107849099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).