N,N-bis(2-cyanoethyl)-3-fluoropyridine-2-sulfonamide

C11H11FN4O2S — CID 103299443

IUPACN,N-bis(2-cyanoethyl)-3-fluoropyridine-2-sulfonamide
SMILESN#CCCN(CCC#N)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C11H11FN4O2S/c12-10-4-1-7-15-11(10)19(17,18)16(8-2-5-13)9-3-6-14/h1,4,7H,2-3,8-9H2
InChIKeyOLSGKFJFHPOQBM-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.04
Rot. Bonds6

About N,N-bis(2-cyanoethyl)-3-fluoropyridine-2-sulfonamide

N,N-bis(2-cyanoethyl)-3-fluoropyridine-2-sulfonamide (PubChem CID 103299443) has the molecular formula C11H11FN4O2S and a molecular weight of 282.30 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-3-fluoropyridine-2-sulfonamide
PubChem CID103299443
Molecular FormulaC11H11FN4O2S
Molecular Weight282.30 g/mol
Exact Mass282.06
IUPAC NameN,N-bis(2-cyanoethyl)-3-fluoropyridine-2-sulfonamide
SMILESN#CCCN(CCC#N)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C11H11FN4O2S/c12-10-4-1-7-15-11(10)19(17,18)16(8-2-5-13)9-3-6-14/h1,4,7H,2-3,8-9H2
InChIKeyOLSGKFJFHPOQBM-UHFFFAOYSA-N
XLogP1.04
TPSA97.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N,N-dipentylpyridine-2-sulfonamide
CID 103299737
2-amino-N,N-bis(2-cyanoethyl)pyridine-3-sulfonamide
CID 65427998
N-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide
CID 103298483
2-[(2-amino-2-oxoethyl)-[(3-fluoro-2-pyridinyl)sulfonyl]amino]acetic acid
CID 107435853
3-[ethyl-(3-fluoro-2-pyridinyl)amino]propanenitrile
CID 62733408
3-amino-N,N-bis(cyanomethyl)pyridine-2-sulfonamide
CID 103303071
2-chloro-N-(2-cyanoethyl)-N-ethylpyridine-3-sulfonamide
CID 61046475
2-[(3-fluoro-2-pyridinyl)sulfonyl-propylamino]-N-propylacetamide
CID 103299629
N-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103299471
N-[(3-cyanophenyl)methyl]-3-fluoro-N-methylpyridine-2-sulfonamide
CID 103299693
N-cyclopropyl-3-fluoro-N-propylpyridine-2-sulfonamide
CID 103299212
4-bromo-N,N-bis(2-cyanoethyl)-2-fluorobenzenesulfonamide
CID 116528310

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-3-fluoropyridine-2-sulfonamide (CID 103299443) is N,N-bis(2-cyanoethyl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-3-fluoropyridine-2-sulfonamide is N#CCCN(CCC#N)S(=O)(=O)c1ncccc1F.
What is the InChIKey of N,N-bis(2-cyanoethyl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is OLSGKFJFHPOQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2S/c12-10-4-1-7-15-11(10)19(17,18)16(8-2-5-13)9-3-6-14/h1,4,7H,2-3,8-9H2.
What are the key properties of N,N-bis(2-cyanoethyl)-3-fluoropyridine-2-sulfonamide?
N,N-bis(2-cyanoethyl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 282.30 g/mol, XLogP of 1.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103299443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).