4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide

C12H19ClN2O4S — CID 116815594

IUPAC4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide
SMILESCOCCOc1ccc(NS(=O)(=O)CCCCCl)cn1
InChIInChI=1S/C12H19ClN2O4S/c1-18-7-8-19-12-5-4-11(10-14-12)15-20(16,17)9-3-2-6-13/h4-5,10,15H,2-3,6-9H2,1H3
InChIKeyLEDOKOCWLMRYMU-UHFFFAOYSA-N
MW322.81 g/mol
LogP1.87
Rot. Bonds10

About 4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide

4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide (PubChem CID 116815594) has the molecular formula C12H19ClN2O4S and a molecular weight of 322.81 g/mol. Its IUPAC name is 4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide
PubChem CID116815594
Molecular FormulaC12H19ClN2O4S
Molecular Weight322.81 g/mol
Exact Mass322.08
IUPAC Name4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide
SMILESCOCCOc1ccc(NS(=O)(=O)CCCCCl)cn1
InChIInChI=1S/C12H19ClN2O4S/c1-18-7-8-19-12-5-4-11(10-14-12)15-20(16,17)9-3-2-6-13/h4-5,10,15H,2-3,6-9H2,1H3
InChIKeyLEDOKOCWLMRYMU-UHFFFAOYSA-N
XLogP1.87
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.81
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methoxyethoxy)-3-pyridinyl]propane-1-sulfonamide
CID 64591758
4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide
CID 116815790
4-chloro-N-(6-fluoro-3-pyridinyl)butane-1-sulfonamide
CID 103080603
N-(6-ethoxy-3-pyridinyl)-4-(methylamino)butane-1-sulfonamide
CID 106072665
N-(6-ethoxy-3-pyridinyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106072666
4-chloro-N-[4-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 116815007
4-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)butane-1-sulfonamide
CID 106059988
N-[6-(2-methoxyethoxy)-3-pyridinyl]piperazine-1-sulfonamide
CID 61254488
4-chloro-N-(3,4-dimethoxyphenyl)butane-1-sulfonamide
CID 116814830
4-(cyclopropylamino)-N-(6-ethoxy-3-pyridinyl)butane-1-sulfonamide
CID 106072696
N-(3,3-dimethylbutyl)-6-(2-methoxyethoxy)pyridin-3-amine
CID 62950387
4-chloro-N-(6-pyrrolidin-1-yl-3-pyridinyl)butane-1-sulfonamide
CID 116815598

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide (CID 116815594) is 4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide is COCCOc1ccc(NS(=O)(=O)CCCCCl)cn1.
What is the InChIKey of 4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide?
The InChIKey is LEDOKOCWLMRYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O4S/c1-18-7-8-19-12-5-4-11(10-14-12)15-20(16,17)9-3-2-6-13/h4-5,10,15H,2-3,6-9H2,1H3.
What are the key properties of 4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide?
4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide has a molecular weight of 322.81 g/mol, XLogP of 1.87, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide is sourced from PubChem (CID 116815594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).