4-chloro-N-(6-pyrrolidin-1-yl-3-pyridinyl)butane-1-sulfonamide

C13H20ClN3O2S — CID 116815598

IUPAC4-chloro-N-(6-pyrrolidin-1-yl-3-pyridinyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C13H20ClN3O2S/c14-7-1-4-10-20(18,19)16-12-5-6-13(15-11-12)17-8-2-3-9-17/h5-6,11,16H,1-4,7-10H2
InChIKeyIHCUZZBGGSIWQN-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.44
Rot. Bonds7

About 4-chloro-N-(6-pyrrolidin-1-yl-3-pyridinyl)butane-1-sulfonamide

4-chloro-N-(6-pyrrolidin-1-yl-3-pyridinyl)butane-1-sulfonamide (PubChem CID 116815598) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is 4-chloro-N-(6-pyrrolidin-1-yl-3-pyridinyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(6-pyrrolidin-1-yl-3-pyridinyl)butane-1-sulfonamide
PubChem CID116815598
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC Name4-chloro-N-(6-pyrrolidin-1-yl-3-pyridinyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCCCl)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C13H20ClN3O2S/c14-7-1-4-10-20(18,19)16-12-5-6-13(15-11-12)17-8-2-3-9-17/h5-6,11,16H,1-4,7-10H2
InChIKeyIHCUZZBGGSIWQN-UHFFFAOYSA-N
XLogP2.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[6-(azepan-1-yl)-3-pyridinyl]butane-1-sulfonamide
CID 113015936
4-[(6-pyrrolidin-1-yl-3-pyridinyl)sulfamoyl]butanoic acid
CID 43708063
4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide
CID 103080603
N-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]butane-1-sulfonamide
CID 113015557
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanesulfonamide
CID 113011044
N-(6-morpholin-4-yl-3-pyridinyl)ethanesulfonamide
CID 53016560
N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]propane-1-sulfonamide
CID 113014317
N-ethyl-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689606
4-chloro-N-[4-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 116815007
N-[6-(azepan-1-yl)-3-pyridinyl]-4-tert-butylbenzenesulfonamide
CID 113015975
4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide
CID 116815594
(6-piperidin-1-yl-3-pyridinyl)hydrazine
CID 55281305

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-pyrrolidin-1-yl-3-pyridinyl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(6-pyrrolidin-1-yl-3-pyridinyl)butane-1-sulfonamide (CID 116815598) is 4-chloro-N-(6-pyrrolidin-1-yl-3-pyridinyl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(6-pyrrolidin-1-yl-3-pyridinyl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(6-pyrrolidin-1-yl-3-pyridinyl)butane-1-sulfonamide is O=S(=O)(CCCCCl)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 4-chloro-N-(6-pyrrolidin-1-yl-3-pyridinyl)butane-1-sulfonamide?
The InChIKey is IHCUZZBGGSIWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2S/c14-7-1-4-10-20(18,19)16-12-5-6-13(15-11-12)17-8-2-3-9-17/h5-6,11,16H,1-4,7-10H2.
What are the key properties of 4-chloro-N-(6-pyrrolidin-1-yl-3-pyridinyl)butane-1-sulfonamide?
4-chloro-N-(6-pyrrolidin-1-yl-3-pyridinyl)butane-1-sulfonamide has a molecular weight of 317.84 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-pyrrolidin-1-yl-3-pyridinyl)butane-1-sulfonamide is sourced from PubChem (CID 116815598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).