2-chloro-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide

C8H9ClF2N2O3S — CID 103836835

IUPAC2-chloro-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC(O)C(F)F)c1cccnc1Cl
InChIInChI=1S/C8H9ClF2N2O3S/c9-7-6(2-1-3-12-7)17(15,16)13-4-5(14)8(10)11/h1-3,5,8,13-14H,4H2
InChIKeyDRRXJYFVXOSVOA-UHFFFAOYSA-N
MW286.69 g/mol
LogP0.64
Rot. Bonds5

About 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide

2-chloro-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide (PubChem CID 103836835) has the molecular formula C8H9ClF2N2O3S and a molecular weight of 286.69 g/mol. Its IUPAC name is 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide
PubChem CID103836835
Molecular FormulaC8H9ClF2N2O3S
Molecular Weight286.69 g/mol
Exact Mass286.00
IUPAC Name2-chloro-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC(O)C(F)F)c1cccnc1Cl
InChIInChI=1S/C8H9ClF2N2O3S/c9-7-6(2-1-3-12-7)17(15,16)13-4-5(14)8(10)11/h1-3,5,8,13-14H,4H2
InChIKeyDRRXJYFVXOSVOA-UHFFFAOYSA-N
XLogP0.64
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.69
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-Chloropyridin-3-yl)sulfonyl]morpholine
CID 274147
6-Chloro-N,N-diethylpyridine-3-sulfonamide
CID 2433226
6-chloro-N-methylpyridine-3-sulfonamide
CID 902063
6-Chloropyridine-3-sulfonamide
CID 1201512
6-chloro-N-cyclohexylpyridine-3-sulfonamide
CID 822454
6-chloro-N-(2-fluorophenyl)pyridine-3-sulfonamide
CID 2683449
6-chloro-N,N-bis(2-methoxyethyl)pyridine-3-sulfonamide
CID 1814408
6-chloro-N-(tetrahydro-2-furanylmethyl)-3-pyridinesulfonamide
CID 5151378
2-Chloro-pyridine-3-sulfonic acid amide
CID 12234445
6-chloro-N,N-dimethylpyridine-3-sulfonamide
CID 4729855
N-tert-butyl-6-chloropyridine-3-sulfonamide
CID 4729821
6-chloro-N-cyclopentylpyridine-3-sulfonamide
CID 16227304

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide (CID 103836835) is 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide is O=S(=O)(NCC(O)C(F)F)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide?
The InChIKey is DRRXJYFVXOSVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2O3S/c9-7-6(2-1-3-12-7)17(15,16)13-4-5(14)8(10)11/h1-3,5,8,13-14H,4H2.
What are the key properties of 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide?
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide has a molecular weight of 286.69 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 103836835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).