2-chloro-N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]pyridine-3-sulfonamide

C14H17ClN2O4S — CID 99846943

IUPAC2-chloro-N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]pyridine-3-sulfonamide
SMILESCCc1ccc([C@@H](COC)NS(=O)(=O)c2cccnc2Cl)o1
InChIInChI=1S/C14H17ClN2O4S/c1-3-10-6-7-12(21-10)11(9-20-2)17-22(18,19)13-5-4-8-16-14(13)15/h4-8,11,17H,3,9H2,1-2H3/t11-/m1/s1
InChIKeyVYTHOIZMQDKBGQ-LLVKDONJSA-N
MW344.82 g/mol
LogP2.56
Rot. Bonds7

About 2-chloro-N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]pyridine-3-sulfonamide

2-chloro-N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]pyridine-3-sulfonamide (PubChem CID 99846943) has the molecular formula C14H17ClN2O4S and a molecular weight of 344.82 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]pyridine-3-sulfonamide
PubChem CID99846943
Molecular FormulaC14H17ClN2O4S
Molecular Weight344.82 g/mol
Exact Mass344.06
IUPAC Name2-chloro-N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]pyridine-3-sulfonamide
SMILESCCc1ccc([C@@H](COC)NS(=O)(=O)c2cccnc2Cl)o1
InChIInChI=1S/C14H17ClN2O4S/c1-3-10-6-7-12(21-10)11(9-20-2)17-22(18,19)13-5-4-8-16-14(13)15/h4-8,11,17H,3,9H2,1-2H3/t11-/m1/s1
InChIKeyVYTHOIZMQDKBGQ-LLVKDONJSA-N
XLogP2.56
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 43456724
N-[(1S)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,3-thiazole-4-sulfonamide
CID 125421608
2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide
CID 62304203
2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide
CID 54950252
N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-imidazol-1-ylethanesulfonamide
CID 154743974
methyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 61150966
2-chloro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 61052282
N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-1,1-dioxothietane-3-sulfonamide
CID 126814451
2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 60716062
2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 115679627
2-chloro-N-(4-methoxy-2,2-dimethylbutyl)pyridine-3-sulfonamide
CID 104624494
2-chloro-N-[3-(2-methoxyethoxy)propyl]pyridine-3-sulfonamide
CID 61250348

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]pyridine-3-sulfonamide (CID 99846943) is 2-chloro-N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]pyridine-3-sulfonamide is CCc1ccc([C@@H](COC)NS(=O)(=O)c2cccnc2Cl)o1.
What is the InChIKey of 2-chloro-N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]pyridine-3-sulfonamide?
The InChIKey is VYTHOIZMQDKBGQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17ClN2O4S/c1-3-10-6-7-12(21-10)11(9-20-2)17-22(18,19)13-5-4-8-16-14(13)15/h4-8,11,17H,3,9H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]pyridine-3-sulfonamide?
2-chloro-N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]pyridine-3-sulfonamide has a molecular weight of 344.82 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-1-(5-ethylfuran-2-yl)-2-methoxyethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 99846943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).