1-(2-chloro-3-pyridinyl)-N-[(2-fluorospiro[2.3]hexan-5-yl)methyl]methanesulfonamide

C13H16ClFN2O2S — CID 166357395

IUPAC1-(2-chloro-3-pyridinyl)-N-[(2-fluorospiro[2.3]hexan-5-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccnc1Cl)NCC1CC2(C1)CC2F
InChIInChI=1S/C13H16ClFN2O2S/c14-12-10(2-1-3-16-12)8-20(18,19)17-7-9-4-13(5-9)6-11(13)15/h1-3,9,11,17H,4-8H2
InChIKeyFVRYDCSCSAEVEM-UHFFFAOYSA-N
MW318.80 g/mol
LogP2.29
Rot. Bonds5

About 1-(2-chloro-3-pyridinyl)-N-[(2-fluorospiro[2.3]hexan-5-yl)methyl]methanesulfonamide

1-(2-chloro-3-pyridinyl)-N-[(2-fluorospiro[2.3]hexan-5-yl)methyl]methanesulfonamide (PubChem CID 166357395) has the molecular formula C13H16ClFN2O2S and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-(2-chloro-3-pyridinyl)-N-[(2-fluorospiro[2.3]hexan-5-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chloro-3-pyridinyl)-N-[(2-fluorospiro[2.3]hexan-5-yl)methyl]methanesulfonamide
PubChem CID166357395
Molecular FormulaC13H16ClFN2O2S
Molecular Weight318.80 g/mol
Exact Mass318.06
IUPAC Name1-(2-chloro-3-pyridinyl)-N-[(2-fluorospiro[2.3]hexan-5-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccnc1Cl)NCC1CC2(C1)CC2F
InChIInChI=1S/C13H16ClFN2O2S/c14-12-10(2-1-3-16-12)8-20(18,19)17-7-9-4-13(5-9)6-11(13)15/h1-3,9,11,17H,4-8H2
InChIKeyFVRYDCSCSAEVEM-UHFFFAOYSA-N
XLogP2.29
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 49670466
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CID 75432389
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CID 75437965
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CID 75437967
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CID 49820581
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CID 86721098

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-pyridinyl)-N-[(2-fluorospiro[2.3]hexan-5-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-chloro-3-pyridinyl)-N-[(2-fluorospiro[2.3]hexan-5-yl)methyl]methanesulfonamide (CID 166357395) is 1-(2-chloro-3-pyridinyl)-N-[(2-fluorospiro[2.3]hexan-5-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chloro-3-pyridinyl)-N-[(2-fluorospiro[2.3]hexan-5-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-chloro-3-pyridinyl)-N-[(2-fluorospiro[2.3]hexan-5-yl)methyl]methanesulfonamide is O=S(=O)(Cc1cccnc1Cl)NCC1CC2(C1)CC2F.
What is the InChIKey of 1-(2-chloro-3-pyridinyl)-N-[(2-fluorospiro[2.3]hexan-5-yl)methyl]methanesulfonamide?
The InChIKey is FVRYDCSCSAEVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2S/c14-12-10(2-1-3-16-12)8-20(18,19)17-7-9-4-13(5-9)6-11(13)15/h1-3,9,11,17H,4-8H2.
What are the key properties of 1-(2-chloro-3-pyridinyl)-N-[(2-fluorospiro[2.3]hexan-5-yl)methyl]methanesulfonamide?
1-(2-chloro-3-pyridinyl)-N-[(2-fluorospiro[2.3]hexan-5-yl)methyl]methanesulfonamide has a molecular weight of 318.80 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-pyridinyl)-N-[(2-fluorospiro[2.3]hexan-5-yl)methyl]methanesulfonamide is sourced from PubChem (CID 166357395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).