6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide

C10H13ClN2O3S — CID 7124105

IUPAC6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC[C@H]1CCCO1)c1ccc(Cl)nc1
InChIInChI=1S/C10H13ClN2O3S/c11-10-4-3-9(7-12-10)17(14,15)13-6-8-2-1-5-16-8/h3-4,7-8,13H,1-2,5-6H2/t8-/m1/s1
InChIKeyOZLUREPPUJUJHZ-MRVPVSSYSA-N
MW276.75 g/mol
LogP1.19
Rot. Bonds4

About 6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide

6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide (PubChem CID 7124105) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.75 g/mol. Its IUPAC name is 6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide
PubChem CID7124105
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.75 g/mol
Exact Mass276.03
IUPAC Name6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC[C@H]1CCCO1)c1ccc(Cl)nc1
InChIInChI=1S/C10H13ClN2O3S/c11-10-4-3-9(7-12-10)17(14,15)13-6-8-2-1-5-16-8/h3-4,7-8,13H,1-2,5-6H2/t8-/m1/s1
InChIKeyOZLUREPPUJUJHZ-MRVPVSSYSA-N
XLogP1.19
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 51.19
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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Related Compounds

4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2939658
N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 110865617
3-amino-4-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43098597
4-(2-chloroethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43662744
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
4-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2225767
4-N,4-N-dimethyl-1-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 25040936
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
1-N-(oxolan-2-ylmethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-disulfonamide
CID 644660
2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 43456566

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide (CID 7124105) is 6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide is O=S(=O)(NC[C@H]1CCCO1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide?
The InChIKey is OZLUREPPUJUJHZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c11-10-4-3-9(7-12-10)17(14,15)13-6-8-2-1-5-16-8/h3-4,7-8,13H,1-2,5-6H2/t8-/m1/s1.
What are the key properties of 6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide?
6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide has a molecular weight of 276.75 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 7124105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).