6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide

C9H9F2N3O3S — CID 113462897

IUPAC6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCC(F)(F)CO)cn1
InChIInChI=1S/C9H9F2N3O3S/c10-9(11,6-15)5-14-18(16,17)8-2-1-7(3-12)13-4-8/h1-2,4,14-15H,5-6H2
InChIKeyRKLSSKQNWIOWKF-UHFFFAOYSA-N
MW277.25 g/mol
LogP-0.14
Rot. Bonds5

About 6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide

6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide (PubChem CID 113462897) has the molecular formula C9H9F2N3O3S and a molecular weight of 277.25 g/mol. Its IUPAC name is 6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide
PubChem CID113462897
Molecular FormulaC9H9F2N3O3S
Molecular Weight277.25 g/mol
Exact Mass277.03
IUPAC Name6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCC(F)(F)CO)cn1
InChIInChI=1S/C9H9F2N3O3S/c10-9(11,6-15)5-14-18(16,17)8-2-1-7(3-12)13-4-8/h1-2,4,14-15H,5-6H2
InChIKeyRKLSSKQNWIOWKF-UHFFFAOYSA-N
XLogP-0.14
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 114533438
6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide
CID 107848455
6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 115754118
6-cyano-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide
CID 103836844
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
5-cyano-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide
CID 114166516
3-[(6-cyano-3-pyridinyl)sulfonylamino]-2-hydroxypropanamide
CID 114153229
6-cyano-N-[3-(trifluoromethyl)pentan-3-yl]pyridine-3-sulfonamide
CID 126813970
6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide
CID 115690391
N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide
CID 104858661
2-[4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]phenoxy]acetic acid
CID 106168686
6-cyano-N-pentylpyridine-3-sulfonamide
CID 115602354

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide (CID 113462897) is 6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide is N#Cc1ccc(S(=O)(=O)NCC(F)(F)CO)cn1.
What is the InChIKey of 6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide?
The InChIKey is RKLSSKQNWIOWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O3S/c10-9(11,6-15)5-14-18(16,17)8-2-1-7(3-12)13-4-8/h1-2,4,14-15H,5-6H2.
What are the key properties of 6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide?
6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide has a molecular weight of 277.25 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 113462897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).