4-chloro-N-piperidin-1-ylbutane-1-sulfonamide

C9H19ClN2O2S — CID 116816437

IUPAC4-chloro-N-piperidin-1-ylbutane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)NN1CCCCC1
InChIInChI=1S/C9H19ClN2O2S/c10-6-2-5-9-15(13,14)11-12-7-3-1-4-8-12/h11H,1-9H2
InChIKeyBMPOOGJXTMSBKK-UHFFFAOYSA-N
MW254.78 g/mol
LogP1.33
Rot. Bonds6

About 4-chloro-N-piperidin-1-ylbutane-1-sulfonamide

4-chloro-N-piperidin-1-ylbutane-1-sulfonamide (PubChem CID 116816437) has the molecular formula C9H19ClN2O2S and a molecular weight of 254.78 g/mol. Its IUPAC name is 4-chloro-N-piperidin-1-ylbutane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-piperidin-1-ylbutane-1-sulfonamide
PubChem CID116816437
Molecular FormulaC9H19ClN2O2S
Molecular Weight254.78 g/mol
Exact Mass254.09
IUPAC Name4-chloro-N-piperidin-1-ylbutane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)NN1CCCCC1
InChIInChI=1S/C9H19ClN2O2S/c10-6-2-5-9-15(13,14)11-12-7-3-1-4-8-12/h11H,1-9H2
InChIKeyBMPOOGJXTMSBKK-UHFFFAOYSA-N
XLogP1.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.78
LogP ≤ 51.33
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'}

Analyze 4-chloro-N-piperidin-1-ylbutane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-piperidin-1-ylbutane-1-sulfonamide
CID 83014122
N-piperidin-1-yl-4-(propan-2-ylamino)butane-1-sulfonamide
CID 114141871
4-chloro-N-(2-piperidin-1-ylethyl)butane-1-sulfonamide
CID 116816051
6-chloro-N-cyclohexylhexane-1-sulfonamide
CID 22111516
6-chloro-N-cyclopentylhexane-1-sulfonamide
CID 22111628
4-chloro-N-(6-pyrrolidin-1-yl-3-pyridinyl)butane-1-sulfonamide
CID 116815598
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butane-1-sulfonamide
CID 116815945
4-(ethylamino)-N-(4-methylpiperazin-1-yl)butane-1-sulfonamide
CID 106075461
2-(4-aminophenyl)sulfanyl-N-piperidin-1-ylethanesulfonamide
CID 83012669
N-(3-chloropropyl)piperidine-1-sulfonamide
CID 43133782
3-chloro-N-(2-piperidin-1-ylphenyl)propane-1-sulfonamide
CID 43654348
4-chloro-N-pent-4-ynylbutane-1-sulfonamide
CID 105055836

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-piperidin-1-ylbutane-1-sulfonamide?
The IUPAC name of 4-chloro-N-piperidin-1-ylbutane-1-sulfonamide (CID 116816437) is 4-chloro-N-piperidin-1-ylbutane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-piperidin-1-ylbutane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-piperidin-1-ylbutane-1-sulfonamide is O=S(=O)(CCCCCl)NN1CCCCC1.
What is the InChIKey of 4-chloro-N-piperidin-1-ylbutane-1-sulfonamide?
The InChIKey is BMPOOGJXTMSBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClN2O2S/c10-6-2-5-9-15(13,14)11-12-7-3-1-4-8-12/h11H,1-9H2.
What are the key properties of 4-chloro-N-piperidin-1-ylbutane-1-sulfonamide?
4-chloro-N-piperidin-1-ylbutane-1-sulfonamide has a molecular weight of 254.78 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-piperidin-1-ylbutane-1-sulfonamide is sourced from PubChem (CID 116816437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).