1-(6-chloro-3-pyridinyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]methanesulfonamide

C14H21ClN2O4S — CID 95733836

IUPAC1-(6-chloro-3-pyridinyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)nc1)NCCCOC[C@H]1CCCO1
InChIInChI=1S/C14H21ClN2O4S/c15-14-5-4-12(9-16-14)11-22(18,19)17-6-2-7-20-10-13-3-1-8-21-13/h4-5,9,13,17H,1-3,6-8,10-11H2/t13-/m1/s1
InChIKeyFXFZWJFDLIQNSS-CYBMUJFWSA-N
MW348.85 g/mol
LogP1.74
Rot. Bonds9

About 1-(6-chloro-3-pyridinyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]methanesulfonamide

1-(6-chloro-3-pyridinyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]methanesulfonamide (PubChem CID 95733836) has the molecular formula C14H21ClN2O4S and a molecular weight of 348.85 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]methanesulfonamide
PubChem CID95733836
Molecular FormulaC14H21ClN2O4S
Molecular Weight348.85 g/mol
Exact Mass348.09
IUPAC Name1-(6-chloro-3-pyridinyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)nc1)NCCCOC[C@H]1CCCO1
InChIInChI=1S/C14H21ClN2O4S/c15-14-5-4-12(9-16-14)11-22(18,19)17-6-2-7-20-10-13-3-1-8-21-13/h4-5,9,13,17H,1-3,6-8,10-11H2/t13-/m1/s1
InChIKeyFXFZWJFDLIQNSS-CYBMUJFWSA-N
XLogP1.74
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 51.74
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

3-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]propane-1-sulfonamide
CID 61248566
2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide
CID 24511243
6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide
CID 7124105
6-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazine-2-carboxamide
CID 103186875
N-[(6-methoxy-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 114936359
N-[(6-chloro-3-pyridinyl)methyl]-1-(oxan-2-yl)methanamine
CID 115683652
1-(3-chlorophenyl)-N-[4-(oxolan-2-yl)butyl]methanesulfonamide
CID 131913148
4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid
CID 95153822
3-N-[3-(oxolan-2-ylmethoxy)propyl]benzene-1,3-disulfonamide
CID 55512529
N-[3-(oxolan-2-ylmethoxy)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 24511253
N-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 24511255
3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine
CID 43182521

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]methanesulfonamide?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]methanesulfonamide (CID 95733836) is 1-(6-chloro-3-pyridinyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]methanesulfonamide.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]methanesulfonamide?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]methanesulfonamide is O=S(=O)(Cc1ccc(Cl)nc1)NCCCOC[C@H]1CCCO1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]methanesulfonamide?
The InChIKey is FXFZWJFDLIQNSS-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21ClN2O4S/c15-14-5-4-12(9-16-14)11-22(18,19)17-6-2-7-20-10-13-3-1-8-21-13/h4-5,9,13,17H,1-3,6-8,10-11H2/t13-/m1/s1.
What are the key properties of 1-(6-chloro-3-pyridinyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]methanesulfonamide?
1-(6-chloro-3-pyridinyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]methanesulfonamide has a molecular weight of 348.85 g/mol, XLogP of 1.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]methanesulfonamide is sourced from PubChem (CID 95733836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).