4-chloro-N-(2-piperidin-1-ylethyl)butane-1-sulfonamide

C11H23ClN2O2S — CID 116816051

IUPAC4-chloro-N-(2-piperidin-1-ylethyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)NCCN1CCCCC1
InChIInChI=1S/C11H23ClN2O2S/c12-6-2-5-11-17(15,16)13-7-10-14-8-3-1-4-9-14/h13H,1-11H2
InChIKeyBWQBZTYADZFKEP-UHFFFAOYSA-N
MW282.84 g/mol
LogP1.41
Rot. Bonds8

About 4-chloro-N-(2-piperidin-1-ylethyl)butane-1-sulfonamide

4-chloro-N-(2-piperidin-1-ylethyl)butane-1-sulfonamide (PubChem CID 116816051) has the molecular formula C11H23ClN2O2S and a molecular weight of 282.84 g/mol. Its IUPAC name is 4-chloro-N-(2-piperidin-1-ylethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-piperidin-1-ylethyl)butane-1-sulfonamide
PubChem CID116816051
Molecular FormulaC11H23ClN2O2S
Molecular Weight282.84 g/mol
Exact Mass282.12
IUPAC Name4-chloro-N-(2-piperidin-1-ylethyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)NCCN1CCCCC1
InChIInChI=1S/C11H23ClN2O2S/c12-6-2-5-11-17(15,16)13-7-10-14-8-3-1-4-9-14/h13H,1-11H2
InChIKeyBWQBZTYADZFKEP-UHFFFAOYSA-N
XLogP1.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.84
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]propane-1-sulfonamide
CID 61241657
3-(2-piperidin-1-ylethylsulfamoyl)propanoic acid
CID 58659564
3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]propane-1-sulfonamide
CID 61250445
4-chloro-N-piperidin-1-ylbutane-1-sulfonamide
CID 116816437
1-(4-chlorobutyl)azepane
CID 22568254
4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1-sulfonamide
CID 114516550
4-chloro-N-pent-4-ynylbutane-1-sulfonamide
CID 105055836
4-chloro-N-(2-methylsulfinylethyl)butane-1-sulfonamide
CID 116816542
4-chloro-N-(3-cyclopentylpropyl)butane-1-sulfonamide
CID 105055639
N-ethyl-2-piperidin-1-ylethanesulfonamide
CID 58968860
4-chloro-N-[2-(triazol-1-yl)ethyl]butane-1-sulfonamide
CID 116816494
4-chloro-N-(3-cyclopropylpropyl)butane-1-sulfonamide
CID 116816598

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-piperidin-1-ylethyl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(2-piperidin-1-ylethyl)butane-1-sulfonamide (CID 116816051) is 4-chloro-N-(2-piperidin-1-ylethyl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(2-piperidin-1-ylethyl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(2-piperidin-1-ylethyl)butane-1-sulfonamide is O=S(=O)(CCCCCl)NCCN1CCCCC1.
What is the InChIKey of 4-chloro-N-(2-piperidin-1-ylethyl)butane-1-sulfonamide?
The InChIKey is BWQBZTYADZFKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2O2S/c12-6-2-5-11-17(15,16)13-7-10-14-8-3-1-4-9-14/h13H,1-11H2.
What are the key properties of 4-chloro-N-(2-piperidin-1-ylethyl)butane-1-sulfonamide?
4-chloro-N-(2-piperidin-1-ylethyl)butane-1-sulfonamide has a molecular weight of 282.84 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-piperidin-1-ylethyl)butane-1-sulfonamide is sourced from PubChem (CID 116816051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).