1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide

C14H17ClN2O2S2 — CID 71997362

IUPAC1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide
SMILESCC(CNS(=O)(=O)Cc1ccc(Cl)nc1)Cc1cccs1
InChIInChI=1S/C14H17ClN2O2S2/c1-11(7-13-3-2-6-20-13)8-17-21(18,19)10-12-4-5-14(15)16-9-12/h2-6,9,11,17H,7-8,10H2,1H3
InChIKeyWLUKXISFJKWYIZ-UHFFFAOYSA-N
MW344.89 g/mol
LogP3.09
Rot. Bonds7

About 1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide

1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide (PubChem CID 71997362) has the molecular formula C14H17ClN2O2S2 and a molecular weight of 344.89 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide
PubChem CID71997362
Molecular FormulaC14H17ClN2O2S2
Molecular Weight344.89 g/mol
Exact Mass344.04
IUPAC Name1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide
SMILESCC(CNS(=O)(=O)Cc1ccc(Cl)nc1)Cc1cccs1
InChIInChI=1S/C14H17ClN2O2S2/c1-11(7-13-3-2-6-20-13)8-17-21(18,19)10-12-4-5-14(15)16-9-12/h2-6,9,11,17H,7-8,10H2,1H3
InChIKeyWLUKXISFJKWYIZ-UHFFFAOYSA-N
XLogP3.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide (CID 71997362) is 1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide is CC(CNS(=O)(=O)Cc1ccc(Cl)nc1)Cc1cccs1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide?
The InChIKey is WLUKXISFJKWYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S2/c1-11(7-13-3-2-6-20-13)8-17-21(18,19)10-12-4-5-14(15)16-9-12/h2-6,9,11,17H,7-8,10H2,1H3.
What are the key properties of 1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide?
1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide has a molecular weight of 344.89 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-N-(2-methyl-3-thiophen-2-ylpropyl)methanesulfonamide is sourced from PubChem (CID 71997362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).