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

C8H8ClF3N2O3S — CID 103834112

IUPAC6-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC(O)C(F)(F)F)c1ccc(Cl)nc1
InChIInChI=1S/C8H8ClF3N2O3S/c9-7-2-1-5(3-13-7)18(16,17)14-4-6(15)8(10,11)12/h1-3,6,14-15H,4H2
InChIKeyZPIDHPONFMDSMB-UHFFFAOYSA-N
MW304.68 g/mol
LogP0.94
Rot. Bonds4

About 6-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide

6-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide (PubChem CID 103834112) has the molecular formula C8H8ClF3N2O3S and a molecular weight of 304.68 g/mol. Its IUPAC name is 6-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide
PubChem CID103834112
Molecular FormulaC8H8ClF3N2O3S
Molecular Weight304.68 g/mol
Exact Mass303.99
IUPAC Name6-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC(O)C(F)(F)F)c1ccc(Cl)nc1
InChIInChI=1S/C8H8ClF3N2O3S/c9-7-2-1-5(3-13-7)18(16,17)14-4-6(15)8(10,11)12/h1-3,6,14-15H,4H2
InChIKeyZPIDHPONFMDSMB-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
2-Chloro-5-(pyrrolidine-1-sulfonyl)pyridine
CID 2433223
6-chloro-N-methylpyridine-3-sulfonamide
CID 902063
6-Chloropyridine-3-sulfonamide
CID 1201512
6-chloro-N-cyclohexylpyridine-3-sulfonamide
CID 822454
2-Chloro-5-(piperidine-1-sulfonyl)-pyridine
CID 2433201
6-chloro-N-(2-fluorophenyl)pyridine-3-sulfonamide
CID 2683449
6-chloro-N-(2,6-difluorophenyl)pyridine-3-sulfonamide
CID 9115009
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide (CID 103834112) is 6-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide is O=S(=O)(NCC(O)C(F)(F)F)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide?
The InChIKey is ZPIDHPONFMDSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O3S/c9-7-2-1-5(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 6-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide?
6-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 6-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 103834112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).