3-cyano-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide

C11H7FN4O2S — CID 66905539

IUPAC3-cyano-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ncc(F)cn2)c1
InChIInChI=1S/C11H7FN4O2S/c12-9-6-14-11(15-7-9)16-19(17,18)10-3-1-2-8(4-10)5-13/h1-4,6-7H,(H,14,15,16)
InChIKeyWTNDBXNQMRMKTB-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.29
Rot. Bonds3

About 3-cyano-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide

3-cyano-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide (PubChem CID 66905539) has the molecular formula C11H7FN4O2S and a molecular weight of 278.27 g/mol. Its IUPAC name is 3-cyano-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide
PubChem CID66905539
Molecular FormulaC11H7FN4O2S
Molecular Weight278.27 g/mol
Exact Mass278.03
IUPAC Name3-cyano-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ncc(F)cn2)c1
InChIInChI=1S/C11H7FN4O2S/c12-9-6-14-11(15-7-9)16-19(17,18)10-3-1-2-8(4-10)5-13/h1-4,6-7H,(H,14,15,16)
InChIKeyWTNDBXNQMRMKTB-UHFFFAOYSA-N
XLogP1.29
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500884
3-cyano-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 62815564
3-cyano-N-(2,3-difluorophenyl)benzenesulfonamide
CID 47336983
N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide
CID 103775599
3-cyano-N-(5-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 64794952
3-cyano-N-(2-iodophenyl)benzenesulfonamide
CID 7938667
3-cyano-N-(3,5-dimethylpyrazin-2-yl)benzenesulfonamide
CID 3790516
N-(5-amino-3-methyl-2-pyridinyl)-3-cyanobenzenesulfonamide
CID 115910806
3-cyano-N-[4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzenesulfonamide
CID 50844261
3-cyano-N-quinolin-8-ylbenzenesulfonamide
CID 8823700
3-cyano-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 26545327
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-3-cyanobenzenesulfonamide
CID 60812944

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide (CID 66905539) is 3-cyano-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2ncc(F)cn2)c1.
What is the InChIKey of 3-cyano-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide?
The InChIKey is WTNDBXNQMRMKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4O2S/c12-9-6-14-11(15-7-9)16-19(17,18)10-3-1-2-8(4-10)5-13/h1-4,6-7H,(H,14,15,16).
What are the key properties of 3-cyano-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide?
3-cyano-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide has a molecular weight of 278.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(5-fluoropyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 66905539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).