3,5-dichloro-N-heptylbenzenesulfonamide

C13H19Cl2NO2S — CID 15066000

IUPAC3,5-dichloro-N-heptylbenzenesulfonamide
SMILESCCCCCCCNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H19Cl2NO2S/c1-2-3-4-5-6-7-16-19(17,18)13-9-11(14)8-12(15)10-13/h8-10,16H,2-7H2,1H3
InChIKeyIGKXPQSBNHUWMK-UHFFFAOYSA-N
MW324.27 g/mol
LogP4.24
Rot. Bonds8

About 3,5-dichloro-N-heptylbenzenesulfonamide

3,5-dichloro-N-heptylbenzenesulfonamide (PubChem CID 15066000) has the molecular formula C13H19Cl2NO2S and a molecular weight of 324.27 g/mol. Its IUPAC name is 3,5-dichloro-N-heptylbenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-heptylbenzenesulfonamide
PubChem CID15066000
Molecular FormulaC13H19Cl2NO2S
Molecular Weight324.27 g/mol
Exact Mass323.05
IUPAC Name3,5-dichloro-N-heptylbenzenesulfonamide
SMILESCCCCCCCNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H19Cl2NO2S/c1-2-3-4-5-6-7-16-19(17,18)13-9-11(14)8-12(15)10-13/h8-10,16H,2-7H2,1H3
InChIKeyIGKXPQSBNHUWMK-UHFFFAOYSA-N
XLogP4.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-heptylbenzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-heptylbenzenesulfonamide (CID 15066000) is 3,5-dichloro-N-heptylbenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-heptylbenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-heptylbenzenesulfonamide is CCCCCCCNS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-heptylbenzenesulfonamide?
The InChIKey is IGKXPQSBNHUWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO2S/c1-2-3-4-5-6-7-16-19(17,18)13-9-11(14)8-12(15)10-13/h8-10,16H,2-7H2,1H3.
What are the key properties of 3,5-dichloro-N-heptylbenzenesulfonamide?
3,5-dichloro-N-heptylbenzenesulfonamide has a molecular weight of 324.27 g/mol, XLogP of 4.24, 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-heptylbenzenesulfonamide is sourced from PubChem (CID 15066000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).