3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide

C12H14Cl3NO2S — CID 65030631

IUPAC3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl3NO2S/c13-9-6-5-8(7-11(9)15)19(17,18)16-12-4-2-1-3-10(12)14/h5-7,10,12,16H,1-4H2
InChIKeyBSSTXGTXFTZZBS-UHFFFAOYSA-N
MW342.68 g/mol
LogP3.82
Rot. Bonds3

About 3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide

3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide (PubChem CID 65030631) has the molecular formula C12H14Cl3NO2S and a molecular weight of 342.68 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide
PubChem CID65030631
Molecular FormulaC12H14Cl3NO2S
Molecular Weight342.68 g/mol
Exact Mass340.98
IUPAC Name3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl3NO2S/c13-9-6-5-8(7-11(9)15)19(17,18)16-12-4-2-1-3-10(12)14/h5-7,10,12,16H,1-4H2
InChIKeyBSSTXGTXFTZZBS-UHFFFAOYSA-N
XLogP3.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.68
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminocyclopentyl)-3,4-dichlorobenzenesulfonamide
CID 63252169
N-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide
CID 114189412
N-(2-chlorocycloheptyl)-3-fluorobenzenesulfonamide
CID 113395199
2-[(3,4-dichlorophenyl)sulfonylamino]cyclopentane-1-carbothioamide
CID 62957301
3-bromo-4-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 106546192
4-bromo-3-chloro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 134367119
N-(2-chlorocyclohexyl)-6-cyanopyridine-3-sulfonamide
CID 106441981
3-bromo-N-(2-bromocyclopentyl)-4-chlorobenzenesulfonamide
CID 106606229
3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726881
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106612264
4-acetyl-N-(2-chlorocyclopentyl)benzenesulfonamide
CID 106444263

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide (CID 65030631) is 3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide is O=S(=O)(NC1CCCCC1Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide?
The InChIKey is BSSTXGTXFTZZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3NO2S/c13-9-6-5-8(7-11(9)15)19(17,18)16-12-4-2-1-3-10(12)14/h5-7,10,12,16H,1-4H2.
What are the key properties of 3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide?
3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide has a molecular weight of 342.68 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide is sourced from PubChem (CID 65030631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).