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

C8H8ClF3N2O3S — CID 103834037

IUPAC2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC(O)C(F)(F)F)c1cccnc1Cl
InChIInChI=1S/C8H8ClF3N2O3S/c9-7-5(2-1-3-13-7)18(16,17)14-4-6(15)8(10,11)12/h1-3,6,14-15H,4H2
InChIKeyZGVJWOCZNCUFTM-UHFFFAOYSA-N
MW304.68 g/mol
LogP0.94
Rot. Bonds4

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

2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide (PubChem CID 103834037) has the molecular formula C8H8ClF3N2O3S and a molecular weight of 304.68 g/mol. Its IUPAC name is 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide
PubChem CID103834037
Molecular FormulaC8H8ClF3N2O3S
Molecular Weight304.68 g/mol
Exact Mass303.99
IUPAC Name2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC(O)C(F)(F)F)c1cccnc1Cl
InChIInChI=1S/C8H8ClF3N2O3S/c9-7-5(2-1-3-13-7)18(16,17)14-4-6(15)8(10,11)12/h1-3,6,14-15H,4H2
InChIKeyZGVJWOCZNCUFTM-UHFFFAOYSA-N
XLogP0.94
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.68
LogP ≤ 50.94
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-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide (CID 103834037) is 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide is O=S(=O)(NCC(O)C(F)(F)F)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide?
The InChIKey is ZGVJWOCZNCUFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O3S/c9-7-5(2-1-3-13-7)18(16,17)14-4-6(15)8(10,11)12/h1-3,6,14-15H,4H2.
What are the key properties of 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide?
2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide has a molecular weight of 304.68 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 103834037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).