4-chloro-N-(5-chloro-4-methylpentyl)benzenesulfonamide

C12H17Cl2NO2S — CID 106158848

IUPAC4-chloro-N-(5-chloro-4-methylpentyl)benzenesulfonamide
SMILESCC(CCl)CCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17Cl2NO2S/c1-10(9-13)3-2-8-15-18(16,17)12-6-4-11(14)5-7-12/h4-7,10,15H,2-3,8-9H2,1H3
InChIKeyPZOOASMDEBFWET-UHFFFAOYSA-N
MW310.25 g/mol
LogP3.27
Rot. Bonds7

About 4-chloro-N-(5-chloro-4-methylpentyl)benzenesulfonamide

4-chloro-N-(5-chloro-4-methylpentyl)benzenesulfonamide (PubChem CID 106158848) has the molecular formula C12H17Cl2NO2S and a molecular weight of 310.25 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-4-methylpentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-4-methylpentyl)benzenesulfonamide
PubChem CID106158848
Molecular FormulaC12H17Cl2NO2S
Molecular Weight310.25 g/mol
Exact Mass309.04
IUPAC Name4-chloro-N-(5-chloro-4-methylpentyl)benzenesulfonamide
SMILESCC(CCl)CCCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17Cl2NO2S/c1-10(9-13)3-2-8-15-18(16,17)12-6-4-11(14)5-7-12/h4-7,10,15H,2-3,8-9H2,1H3
InChIKeyPZOOASMDEBFWET-UHFFFAOYSA-N
XLogP3.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 53.27
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-(5-bromo-4-methylpentyl)-4-chlorobenzenesulfonamide
CID 106158647
4-chloro-N-(4-methylpentyl)benzenesulfonamide
CID 3318500
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
4-(2-chloroethyl)-N-(5-hydroxy-4-methylpentyl)benzenesulfonamide
CID 103858988
2-bromo-N-(5-chloro-4-methylpentyl)benzenesulfonamide
CID 106158915
4-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 107849052
N-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide
CID 106158843
4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119972887
4-chloro-N-(7-chloro-6-oxoheptyl)benzenesulfonamide
CID 171348226
2-chloro-14-[(4-chlorophenyl)sulfonylamino]tetradecanoic acid
CID 150676400
N-(5-chloro-4-methylpentyl)-1H-imidazole-5-sulfonamide
CID 106158955
2-[(4-chlorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 4122196

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-4-methylpentyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(5-chloro-4-methylpentyl)benzenesulfonamide (CID 106158848) is 4-chloro-N-(5-chloro-4-methylpentyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-4-methylpentyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(5-chloro-4-methylpentyl)benzenesulfonamide is CC(CCl)CCCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(5-chloro-4-methylpentyl)benzenesulfonamide?
The InChIKey is PZOOASMDEBFWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO2S/c1-10(9-13)3-2-8-15-18(16,17)12-6-4-11(14)5-7-12/h4-7,10,15H,2-3,8-9H2,1H3.
What are the key properties of 4-chloro-N-(5-chloro-4-methylpentyl)benzenesulfonamide?
4-chloro-N-(5-chloro-4-methylpentyl)benzenesulfonamide has a molecular weight of 310.25 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-4-methylpentyl)benzenesulfonamide is sourced from PubChem (CID 106158848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).