2-chloro-N-[3-(2-methoxyethoxy)propyl]pyridine-3-sulfonamide

C11H17ClN2O4S — CID 61250348

IUPAC2-chloro-N-[3-(2-methoxyethoxy)propyl]pyridine-3-sulfonamide
SMILESCOCCOCCCNS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C11H17ClN2O4S/c1-17-8-9-18-7-3-6-14-19(15,16)10-4-2-5-13-11(10)12/h2,4-5,14H,3,6-9H2,1H3
InChIKeyVKXIKAXBMJHWDL-UHFFFAOYSA-N
MW308.79 g/mol
LogP1.07
Rot. Bonds9

About 2-chloro-N-[3-(2-methoxyethoxy)propyl]pyridine-3-sulfonamide

2-chloro-N-[3-(2-methoxyethoxy)propyl]pyridine-3-sulfonamide (PubChem CID 61250348) has the molecular formula C11H17ClN2O4S and a molecular weight of 308.79 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-methoxyethoxy)propyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2-methoxyethoxy)propyl]pyridine-3-sulfonamide
PubChem CID61250348
Molecular FormulaC11H17ClN2O4S
Molecular Weight308.79 g/mol
Exact Mass308.06
IUPAC Name2-chloro-N-[3-(2-methoxyethoxy)propyl]pyridine-3-sulfonamide
SMILESCOCCOCCCNS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C11H17ClN2O4S/c1-17-8-9-18-7-3-6-14-19(15,16)10-4-2-5-13-11(10)12/h2,4-5,14H,3,6-9H2,1H3
InChIKeyVKXIKAXBMJHWDL-UHFFFAOYSA-N
XLogP1.07
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide
CID 104624494
2-bromo-N-[3-(2-methoxyethoxy)propyl]benzenesulfonamide
CID 47121896
2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide
CID 61046913
2-bromo-N-[4-(2-methoxyethoxy)butyl]benzenesulfonamide
CID 115600011
ethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 55207055
2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide
CID 106594289
2-amino-N-(3-ethoxypropyl)pyridine-3-sulfonamide
CID 62144389
2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-sulfonamide
CID 61217770
2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 43456724
N-(3-ethoxypropyl)-2-(methylamino)pyridine-3-sulfonamide
CID 55043958
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 34974210
2-chloro-N-(2-cyclohexylethyl)pyridine-3-sulfonamide
CID 54932567

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2-methoxyethoxy)propyl]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[3-(2-methoxyethoxy)propyl]pyridine-3-sulfonamide (CID 61250348) is 2-chloro-N-[3-(2-methoxyethoxy)propyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(2-methoxyethoxy)propyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[3-(2-methoxyethoxy)propyl]pyridine-3-sulfonamide is COCCOCCCNS(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[3-(2-methoxyethoxy)propyl]pyridine-3-sulfonamide?
The InChIKey is VKXIKAXBMJHWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O4S/c1-17-8-9-18-7-3-6-14-19(15,16)10-4-2-5-13-11(10)12/h2,4-5,14H,3,6-9H2,1H3.
What are the key properties of 2-chloro-N-[3-(2-methoxyethoxy)propyl]pyridine-3-sulfonamide?
2-chloro-N-[3-(2-methoxyethoxy)propyl]pyridine-3-sulfonamide has a molecular weight of 308.79 g/mol, XLogP of 1.07, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2-methoxyethoxy)propyl]pyridine-3-sulfonamide is sourced from PubChem (CID 61250348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).