N-[2-(2-chloroethyl)pentyl]-2,4-dimethylbenzenesulfonamide

C15H24ClNO2S — CID 106118251

IUPACN-[2-(2-chloroethyl)pentyl]-2,4-dimethylbenzenesulfonamide
SMILESCCCC(CCCl)CNS(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C15H24ClNO2S/c1-4-5-14(8-9-16)11-17-20(18,19)15-7-6-12(2)10-13(15)3/h6-7,10,14,17H,4-5,8-9,11H2,1-3H3
InChIKeyWNCAMTFHBSTGIB-UHFFFAOYSA-N
MW317.88 g/mol
LogP3.63
Rot. Bonds8

About N-[2-(2-chloroethyl)pentyl]-2,4-dimethylbenzenesulfonamide

N-[2-(2-chloroethyl)pentyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 106118251) has the molecular formula C15H24ClNO2S and a molecular weight of 317.88 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]-2,4-dimethylbenzenesulfonamide
PubChem CID106118251
Molecular FormulaC15H24ClNO2S
Molecular Weight317.88 g/mol
Exact Mass317.12
IUPAC NameN-[2-(2-chloroethyl)pentyl]-2,4-dimethylbenzenesulfonamide
SMILESCCCC(CCCl)CNS(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C15H24ClNO2S/c1-4-5-14(8-9-16)11-17-20(18,19)15-7-6-12(2)10-13(15)3/h6-7,10,14,17H,4-5,8-9,11H2,1-3H3
InChIKeyWNCAMTFHBSTGIB-UHFFFAOYSA-N
XLogP3.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.88
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]-2,4-dimethylbenzenesulfonamide (CID 106118251) is N-[2-(2-chloroethyl)pentyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]-2,4-dimethylbenzenesulfonamide is CCCC(CCCl)CNS(=O)(=O)c1ccc(C)cc1C.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is WNCAMTFHBSTGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2S/c1-4-5-14(8-9-16)11-17-20(18,19)15-7-6-12(2)10-13(15)3/h6-7,10,14,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-[2-(2-chloroethyl)pentyl]-2,4-dimethylbenzenesulfonamide?
N-[2-(2-chloroethyl)pentyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 317.88 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 106118251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).