N,N-dibutyl-2-chloroethanesulfonamide

C10H22ClNO2S — CID 14598842

IUPACN,N-dibutyl-2-chloroethanesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)CCCl
InChIInChI=1S/C10H22ClNO2S/c1-3-5-8-12(9-6-4-2)15(13,14)10-7-11/h3-10H2,1-2H3
InChIKeyCRVHFYZNKIPETL-UHFFFAOYSA-N
MW255.81 g/mol
LogP2.46
Rot. Bonds9

About N,N-dibutyl-2-chloroethanesulfonamide

N,N-dibutyl-2-chloroethanesulfonamide (PubChem CID 14598842) has the molecular formula C10H22ClNO2S and a molecular weight of 255.81 g/mol. Its IUPAC name is N,N-dibutyl-2-chloroethanesulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-2-chloroethanesulfonamide
PubChem CID14598842
Molecular FormulaC10H22ClNO2S
Molecular Weight255.81 g/mol
Exact Mass255.11
IUPAC NameN,N-dibutyl-2-chloroethanesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)CCCl
InChIInChI=1S/C10H22ClNO2S/c1-3-5-8-12(9-6-4-2)15(13,14)10-7-11/h3-10H2,1-2H3
InChIKeyCRVHFYZNKIPETL-UHFFFAOYSA-N
XLogP2.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.81
LogP ≤ 52.46
H-Bond Donors ≤ 50
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,N-dibutyl-2-chloroethanesulfonamide?
The IUPAC name of N,N-dibutyl-2-chloroethanesulfonamide (CID 14598842) is N,N-dibutyl-2-chloroethanesulfonamide.
What is the SMILES notation for N,N-dibutyl-2-chloroethanesulfonamide?
The canonical SMILES for N,N-dibutyl-2-chloroethanesulfonamide is CCCCN(CCCC)S(=O)(=O)CCCl.
What is the InChIKey of N,N-dibutyl-2-chloroethanesulfonamide?
The InChIKey is CRVHFYZNKIPETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO2S/c1-3-5-8-12(9-6-4-2)15(13,14)10-7-11/h3-10H2,1-2H3.
What are the key properties of N,N-dibutyl-2-chloroethanesulfonamide?
N,N-dibutyl-2-chloroethanesulfonamide has a molecular weight of 255.81 g/mol, XLogP of 2.46, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-chloroethanesulfonamide is sourced from PubChem (CID 14598842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).