6-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]pyridine-3-sulfonamide

C11H13N3O4S — CID 103848198

IUPAC6-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCC2(O)CCOC2)cn1
InChIInChI=1S/C11H13N3O4S/c12-5-9-1-2-10(6-13-9)19(16,17)14-7-11(15)3-4-18-8-11/h1-2,6,14-15H,3-4,7-8H2
InChIKeyNMLQUSFKBJWKGG-UHFFFAOYSA-N
MW283.31 g/mol
LogP-0.62
Rot. Bonds4

About 6-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]pyridine-3-sulfonamide

6-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]pyridine-3-sulfonamide (PubChem CID 103848198) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 6-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
PubChem CID103848198
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name6-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]pyridine-3-sulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCC2(O)CCOC2)cn1
InChIInChI=1S/C11H13N3O4S/c12-5-9-1-2-10(6-13-9)19(16,17)14-7-11(15)3-4-18-8-11/h1-2,6,14-15H,3-4,7-8H2
InChIKeyNMLQUSFKBJWKGG-UHFFFAOYSA-N
XLogP-0.62
TPSA112.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyano-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 115754039
N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848060
N-[(3-hydroxyoxolan-3-yl)methyl]-4-nitrobenzenesulfonamide
CID 103848059
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybenzenesulfonamide
CID 103848152
6-cyano-N-[(1-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 115618854
3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848049
3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 103848081
5-chloro-2-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848172
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 104868491
6-cyano-N-[1-(hydroxymethyl)cyclopentyl]pyridine-3-sulfonamide
CID 114614808
4-[(3-hydroxyoxolan-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106099827
3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-4-nitrobenzenesulfonamide
CID 106100368

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]pyridine-3-sulfonamide (CID 103848198) is 6-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]pyridine-3-sulfonamide is N#Cc1ccc(S(=O)(=O)NCC2(O)CCOC2)cn1.
What is the InChIKey of 6-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is NMLQUSFKBJWKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c12-5-9-1-2-10(6-13-9)19(16,17)14-7-11(15)3-4-18-8-11/h1-2,6,14-15H,3-4,7-8H2.
What are the key properties of 6-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]pyridine-3-sulfonamide?
6-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 283.31 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 103848198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).