N,N-dibutyl-3-chloropropane-1-sulfonamide

C11H24ClNO2S — CID 14598843

IUPACN,N-dibutyl-3-chloropropane-1-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)CCCCl
InChIInChI=1S/C11H24ClNO2S/c1-3-5-9-13(10-6-4-2)16(14,15)11-7-8-12/h3-11H2,1-2H3
InChIKeyDOLUHVAGDIEEIA-UHFFFAOYSA-N
MW269.84 g/mol
LogP2.85
Rot. Bonds10

About N,N-dibutyl-3-chloropropane-1-sulfonamide

N,N-dibutyl-3-chloropropane-1-sulfonamide (PubChem CID 14598843) has the molecular formula C11H24ClNO2S and a molecular weight of 269.84 g/mol. Its IUPAC name is N,N-dibutyl-3-chloropropane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-3-chloropropane-1-sulfonamide
PubChem CID14598843
Molecular FormulaC11H24ClNO2S
Molecular Weight269.84 g/mol
Exact Mass269.12
IUPAC NameN,N-dibutyl-3-chloropropane-1-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)CCCCl
InChIInChI=1S/C11H24ClNO2S/c1-3-5-9-13(10-6-4-2)16(14,15)11-7-8-12/h3-11H2,1-2H3
InChIKeyDOLUHVAGDIEEIA-UHFFFAOYSA-N
XLogP2.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 52.85
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-3-chloropropane-1-sulfonamide?
The IUPAC name of N,N-dibutyl-3-chloropropane-1-sulfonamide (CID 14598843) is N,N-dibutyl-3-chloropropane-1-sulfonamide.
What is the SMILES notation for N,N-dibutyl-3-chloropropane-1-sulfonamide?
The canonical SMILES for N,N-dibutyl-3-chloropropane-1-sulfonamide is CCCCN(CCCC)S(=O)(=O)CCCCl.
What is the InChIKey of N,N-dibutyl-3-chloropropane-1-sulfonamide?
The InChIKey is DOLUHVAGDIEEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2S/c1-3-5-9-13(10-6-4-2)16(14,15)11-7-8-12/h3-11H2,1-2H3.
What are the key properties of N,N-dibutyl-3-chloropropane-1-sulfonamide?
N,N-dibutyl-3-chloropropane-1-sulfonamide has a molecular weight of 269.84 g/mol, XLogP of 2.85, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3-chloropropane-1-sulfonamide is sourced from PubChem (CID 14598843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).