3,5-dichloro-N-[5-(2,2-dimethylpropoxy)-2-methylpentan-2-yl]benzenesulfonamide

C17H27Cl2NO3S — CID 146352834

IUPAC3,5-dichloro-N-[5-(2,2-dimethylpropoxy)-2-methylpentan-2-yl]benzenesulfonamide
SMILESCC(C)(C)COCCCC(C)(C)NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H27Cl2NO3S/c1-16(2,3)12-23-8-6-7-17(4,5)20-24(21,22)15-10-13(18)9-14(19)11-15/h9-11,20H,6-8,12H2,1-5H3
InChIKeyQDIWITFUQGHDPO-UHFFFAOYSA-N
MW396.38 g/mol
LogP4.89
Rot. Bonds8

About 3,5-dichloro-N-[5-(2,2-dimethylpropoxy)-2-methylpentan-2-yl]benzenesulfonamide

3,5-dichloro-N-[5-(2,2-dimethylpropoxy)-2-methylpentan-2-yl]benzenesulfonamide (PubChem CID 146352834) has the molecular formula C17H27Cl2NO3S and a molecular weight of 396.38 g/mol. Its IUPAC name is 3,5-dichloro-N-[5-(2,2-dimethylpropoxy)-2-methylpentan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[5-(2,2-dimethylpropoxy)-2-methylpentan-2-yl]benzenesulfonamide
PubChem CID146352834
Molecular FormulaC17H27Cl2NO3S
Molecular Weight396.38 g/mol
Exact Mass395.11
IUPAC Name3,5-dichloro-N-[5-(2,2-dimethylpropoxy)-2-methylpentan-2-yl]benzenesulfonamide
SMILESCC(C)(C)COCCCC(C)(C)NS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H27Cl2NO3S/c1-16(2,3)12-23-8-6-7-17(4,5)20-24(21,22)15-10-13(18)9-14(19)11-15/h9-11,20H,6-8,12H2,1-5H3
InChIKeyQDIWITFUQGHDPO-UHFFFAOYSA-N
XLogP4.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[5-(2,2-dimethylpropoxy)-2-methylpentan-2-yl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[5-(2,2-dimethylpropoxy)-2-methylpentan-2-yl]benzenesulfonamide (CID 146352834) is 3,5-dichloro-N-[5-(2,2-dimethylpropoxy)-2-methylpentan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[5-(2,2-dimethylpropoxy)-2-methylpentan-2-yl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[5-(2,2-dimethylpropoxy)-2-methylpentan-2-yl]benzenesulfonamide is CC(C)(C)COCCCC(C)(C)NS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[5-(2,2-dimethylpropoxy)-2-methylpentan-2-yl]benzenesulfonamide?
The InChIKey is QDIWITFUQGHDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27Cl2NO3S/c1-16(2,3)12-23-8-6-7-17(4,5)20-24(21,22)15-10-13(18)9-14(19)11-15/h9-11,20H,6-8,12H2,1-5H3.
What are the key properties of 3,5-dichloro-N-[5-(2,2-dimethylpropoxy)-2-methylpentan-2-yl]benzenesulfonamide?
3,5-dichloro-N-[5-(2,2-dimethylpropoxy)-2-methylpentan-2-yl]benzenesulfonamide has a molecular weight of 396.38 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[5-(2,2-dimethylpropoxy)-2-methylpentan-2-yl]benzenesulfonamide is sourced from PubChem (CID 146352834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).