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

C9H9F2N3O3S — CID 103836844

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

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

6-cyano-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide (PubChem CID 103836844) has the molecular formula C9H9F2N3O3S and a molecular weight of 277.25 g/mol. Its IUPAC name is 6-cyano-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide
PubChem CID103836844
Molecular FormulaC9H9F2N3O3S
Molecular Weight277.25 g/mol
Exact Mass277.03
IUPAC Name6-cyano-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCC(O)C(F)F)cn1
InChIInChI=1S/C9H9F2N3O3S/c10-9(11)8(15)5-14-18(16,17)7-2-1-6(3-12)13-4-7/h1-2,4,8-9,14-15H,5H2
InChIKeyMEWODKKDCFFWMH-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-hydroxypropanamide
CID 114153229
6-cyano-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide
CID 115763709
4-cyano-N-(3,3-difluoro-2-hydroxypropyl)-3-methylbenzenesulfonamide
CID 106833452
6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide
CID 113462897
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
N-[(5-amino-2-hydroxyphenyl)methyl]-6-cyanopyridine-3-sulfonamide
CID 114612850
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-pentylpyridine-3-sulfonamide
CID 115602354
6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 115602138
3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 114533438
6-cyano-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 115602469

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide (CID 103836844) is 6-cyano-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide is N#Cc1ccc(S(=O)(=O)NCC(O)C(F)F)cn1.
What is the InChIKey of 6-cyano-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide?
The InChIKey is MEWODKKDCFFWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O3S/c10-9(11)8(15)5-14-18(16,17)7-2-1-6(3-12)13-4-7/h1-2,4,8-9,14-15H,5H2.
What are the key properties of 6-cyano-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide?
6-cyano-N-(3,3-difluoro-2-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-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 103836844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).