4-chloro-N-(3-chloro-2,6-diethylphenyl)butane-1-sulfonamide

C14H21Cl2NO2S — CID 116814873

IUPAC4-chloro-N-(3-chloro-2,6-diethylphenyl)butane-1-sulfonamide
SMILESCCc1ccc(Cl)c(CC)c1NS(=O)(=O)CCCCCl
InChIInChI=1S/C14H21Cl2NO2S/c1-3-11-7-8-13(16)12(4-2)14(11)17-20(18,19)10-6-5-9-15/h7-8,17H,3-6,9-10H2,1-2H3
InChIKeyVRLGFMOZRRALDU-UHFFFAOYSA-N
MW338.30 g/mol
LogP4.23
Rot. Bonds8

About 4-chloro-N-(3-chloro-2,6-diethylphenyl)butane-1-sulfonamide

4-chloro-N-(3-chloro-2,6-diethylphenyl)butane-1-sulfonamide (PubChem CID 116814873) has the molecular formula C14H21Cl2NO2S and a molecular weight of 338.30 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-2,6-diethylphenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-2,6-diethylphenyl)butane-1-sulfonamide
PubChem CID116814873
Molecular FormulaC14H21Cl2NO2S
Molecular Weight338.30 g/mol
Exact Mass337.07
IUPAC Name4-chloro-N-(3-chloro-2,6-diethylphenyl)butane-1-sulfonamide
SMILESCCc1ccc(Cl)c(CC)c1NS(=O)(=O)CCCCCl
InChIInChI=1S/C14H21Cl2NO2S/c1-3-11-7-8-13(16)12(4-2)14(11)17-20(18,19)10-6-5-9-15/h7-8,17H,3-6,9-10H2,1-2H3
InChIKeyVRLGFMOZRRALDU-UHFFFAOYSA-N
XLogP4.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 54.23
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-2,6-diethylphenyl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(3-chloro-2,6-diethylphenyl)butane-1-sulfonamide (CID 116814873) is 4-chloro-N-(3-chloro-2,6-diethylphenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-2,6-diethylphenyl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(3-chloro-2,6-diethylphenyl)butane-1-sulfonamide is CCc1ccc(Cl)c(CC)c1NS(=O)(=O)CCCCCl.
What is the InChIKey of 4-chloro-N-(3-chloro-2,6-diethylphenyl)butane-1-sulfonamide?
The InChIKey is VRLGFMOZRRALDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO2S/c1-3-11-7-8-13(16)12(4-2)14(11)17-20(18,19)10-6-5-9-15/h7-8,17H,3-6,9-10H2,1-2H3.
What are the key properties of 4-chloro-N-(3-chloro-2,6-diethylphenyl)butane-1-sulfonamide?
4-chloro-N-(3-chloro-2,6-diethylphenyl)butane-1-sulfonamide has a molecular weight of 338.30 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-2,6-diethylphenyl)butane-1-sulfonamide is sourced from PubChem (CID 116814873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).