5-chloro-N,N-dipropylpentane-1-sulfonamide

C11H24ClNO2S — CID 22111563

IUPAC5-chloro-N,N-dipropylpentane-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)CCCCCCl
InChIInChI=1S/C11H24ClNO2S/c1-3-9-13(10-4-2)16(14,15)11-7-5-6-8-12/h3-11H2,1-2H3
InChIKeyLNOGBDJXRZVZTP-UHFFFAOYSA-N
MW269.84 g/mol
LogP2.85
Rot. Bonds10

About 5-chloro-N,N-dipropylpentane-1-sulfonamide

5-chloro-N,N-dipropylpentane-1-sulfonamide (PubChem CID 22111563) has the molecular formula C11H24ClNO2S and a molecular weight of 269.84 g/mol. Its IUPAC name is 5-chloro-N,N-dipropylpentane-1-sulfonamide.

Molecular Properties

Compound Name5-chloro-N,N-dipropylpentane-1-sulfonamide
PubChem CID22111563
Molecular FormulaC11H24ClNO2S
Molecular Weight269.84 g/mol
Exact Mass269.12
IUPAC Name5-chloro-N,N-dipropylpentane-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)CCCCCCl
InChIInChI=1S/C11H24ClNO2S/c1-3-9-13(10-4-2)16(14,15)11-7-5-6-8-12/h3-11H2,1-2H3
InChIKeyLNOGBDJXRZVZTP-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': '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 5-chloro-N,N-dipropylpentane-1-sulfonamide?
The IUPAC name of 5-chloro-N,N-dipropylpentane-1-sulfonamide (CID 22111563) is 5-chloro-N,N-dipropylpentane-1-sulfonamide.
What is the SMILES notation for 5-chloro-N,N-dipropylpentane-1-sulfonamide?
The canonical SMILES for 5-chloro-N,N-dipropylpentane-1-sulfonamide is CCCN(CCC)S(=O)(=O)CCCCCCl.
What is the InChIKey of 5-chloro-N,N-dipropylpentane-1-sulfonamide?
The InChIKey is LNOGBDJXRZVZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO2S/c1-3-9-13(10-4-2)16(14,15)11-7-5-6-8-12/h3-11H2,1-2H3.
What are the key properties of 5-chloro-N,N-dipropylpentane-1-sulfonamide?
5-chloro-N,N-dipropylpentane-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 5-chloro-N,N-dipropylpentane-1-sulfonamide is sourced from PubChem (CID 22111563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).