3,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide

C12H16Cl3NO2S — CID 114008802

IUPAC3,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCCCl)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl3NO2S/c13-5-3-1-2-4-6-16-19(17,18)12-8-10(14)7-11(15)9-12/h7-9,16H,1-6H2
InChIKeyWWOASVWCPVXCHF-UHFFFAOYSA-N
MW344.69 g/mol
LogP4.07
Rot. Bonds8

About 3,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide

3,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide (PubChem CID 114008802) has the molecular formula C12H16Cl3NO2S and a molecular weight of 344.69 g/mol. Its IUPAC name is 3,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
PubChem CID114008802
Molecular FormulaC12H16Cl3NO2S
Molecular Weight344.69 g/mol
Exact Mass343.00
IUPAC Name3,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
SMILESO=S(=O)(NCCCCCCCl)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl3NO2S/c13-5-3-1-2-4-6-16-19(17,18)12-8-10(14)7-11(15)9-12/h7-9,16H,1-6H2
InChIKeyWWOASVWCPVXCHF-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

3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide
CID 61287690
N-(3-aminopropyl)-3,5-dichlorobenzenesulfonamide;hydrochloride
CID 119961978
5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 62033065
4-bromo-N-(5-chloropentyl)benzenesulfonamide
CID 107322747
2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
CID 107849099
N-(3-azidopropyl)-3,5-dichlorobenzenesulfonamide
CID 61343464
5-bromo-N-(6-chlorohexyl)pyridine-3-sulfonamide
CID 107849139
3-chloro-N-(5-iodopentyl)benzenesulfonamide
CID 107322870
3-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 69467627
6-chlorohexylsulfamic acid
CID 139889503
5-bromo-N-(4-chlorobutyl)pyridine-3-sulfonamide
CID 106846555
3,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64529701

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide (CID 114008802) is 3,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide is O=S(=O)(NCCCCCCCl)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide?
The InChIKey is WWOASVWCPVXCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl3NO2S/c13-5-3-1-2-4-6-16-19(17,18)12-8-10(14)7-11(15)9-12/h7-9,16H,1-6H2.
What are the key properties of 3,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide?
3,5-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 3,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide is sourced from PubChem (CID 114008802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).