2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide

C10H13ClN2O3S — CID 43456566

IUPAC2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1cccnc1Cl
InChIInChI=1S/C10H13ClN2O3S/c11-10-9(4-1-5-12-10)17(14,15)13-7-8-3-2-6-16-8/h1,4-5,8,13H,2-3,6-7H2
InChIKeyXXLAJNQLEYPCOJ-UHFFFAOYSA-N
MW276.74 g/mol
LogP1.19
Rot. Bonds4

About 2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide

2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide (PubChem CID 43456566) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.74 g/mol. Its IUPAC name is 2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
PubChem CID43456566
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.74 g/mol
Exact Mass276.03
IUPAC Name2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1cccnc1Cl
InChIInChI=1S/C10H13ClN2O3S/c11-10-9(4-1-5-12-10)17(14,15)13-7-8-3-2-6-16-8/h1,4-5,8,13H,2-3,6-7H2
InChIKeyXXLAJNQLEYPCOJ-UHFFFAOYSA-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 ≤ 500276.74
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

N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide
CID 704975
2-(aminomethyl)-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
CID 106594265
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2123351
N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 110865617
2,4,5-trichloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2897340
5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110759337
6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide
CID 7124105
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014409
2-chloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107412513
4-bromo-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 42999359
5-amino-2-chloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43100522

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide (CID 43456566) is 2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide is O=S(=O)(NCC1CCCO1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is XXLAJNQLEYPCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c11-10-9(4-1-5-12-10)17(14,15)13-7-8-3-2-6-16-8/h1,4-5,8,13H,2-3,6-7H2.
What are the key properties of 2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide?
2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 276.74 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 2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 43456566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).