N,N-dibutyl-5-chloropentane-1-sulfonamide

C13H28ClNO2S — CID 22111565

IUPACN,N-dibutyl-5-chloropentane-1-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)CCCCCCl
InChIInChI=1S/C13H28ClNO2S/c1-3-5-11-15(12-6-4-2)18(16,17)13-9-7-8-10-14/h3-13H2,1-2H3
InChIKeyCAUDAVTYCKKVLC-UHFFFAOYSA-N
MW297.89 g/mol
LogP3.63
Rot. Bonds12

About N,N-dibutyl-5-chloropentane-1-sulfonamide

N,N-dibutyl-5-chloropentane-1-sulfonamide (PubChem CID 22111565) has the molecular formula C13H28ClNO2S and a molecular weight of 297.89 g/mol. Its IUPAC name is N,N-dibutyl-5-chloropentane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-5-chloropentane-1-sulfonamide
PubChem CID22111565
Molecular FormulaC13H28ClNO2S
Molecular Weight297.89 g/mol
Exact Mass297.15
IUPAC NameN,N-dibutyl-5-chloropentane-1-sulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)CCCCCCl
InChIInChI=1S/C13H28ClNO2S/c1-3-5-11-15(12-6-4-2)18(16,17)13-9-7-8-10-14/h3-13H2,1-2H3
InChIKeyCAUDAVTYCKKVLC-UHFFFAOYSA-N
XLogP3.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.89
LogP ≤ 53.63
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 N,N-dibutyl-5-chloropentane-1-sulfonamide?
The IUPAC name of N,N-dibutyl-5-chloropentane-1-sulfonamide (CID 22111565) is N,N-dibutyl-5-chloropentane-1-sulfonamide.
What is the SMILES notation for N,N-dibutyl-5-chloropentane-1-sulfonamide?
The canonical SMILES for N,N-dibutyl-5-chloropentane-1-sulfonamide is CCCCN(CCCC)S(=O)(=O)CCCCCCl.
What is the InChIKey of N,N-dibutyl-5-chloropentane-1-sulfonamide?
The InChIKey is CAUDAVTYCKKVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28ClNO2S/c1-3-5-11-15(12-6-4-2)18(16,17)13-9-7-8-10-14/h3-13H2,1-2H3.
What are the key properties of N,N-dibutyl-5-chloropentane-1-sulfonamide?
N,N-dibutyl-5-chloropentane-1-sulfonamide has a molecular weight of 297.89 g/mol, XLogP of 3.63, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-5-chloropentane-1-sulfonamide is sourced from PubChem (CID 22111565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).