6-cyano-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide

C14H12FN3O2S — CID 115602456

IUPAC6-cyano-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C#N)nc1)c1ccccc1F
InChIInChI=1S/C14H12FN3O2S/c1-10(13-4-2-3-5-14(13)15)18-21(19,20)12-7-6-11(8-16)17-9-12/h2-7,9-10,18H,1H3
InChIKeyPSLAXGRQWLEYEP-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.13
Rot. Bonds4

About 6-cyano-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide

6-cyano-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 115602456) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is 6-cyano-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
PubChem CID115602456
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC Name6-cyano-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(C#N)nc1)c1ccccc1F
InChIInChI=1S/C14H12FN3O2S/c1-10(13-4-2-3-5-14(13)15)18-21(19,20)12-7-6-11(8-16)17-9-12/h2-7,9-10,18H,1H3
InChIKeyPSLAXGRQWLEYEP-UHFFFAOYSA-N
XLogP2.13
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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BM-960102
CID 819349
4-Pyridin-3-ylbenzenesulfonamide
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CID 688002
4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
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4-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 651192
4-(2-Pyridin-2-ylethynyl)benzenesulfonamide
CID 44452471
2,4-dimethyl-N-(2-pyridinylmethyl)benzenesulfonamide
CID 775793
3-{1-[(4-Fluorophenyl)sulfonyl]-2-pyrrolidinyl}pyridine
CID 2738275
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CID 25237590

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide (CID 115602456) is 6-cyano-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide is CC(NS(=O)(=O)c1ccc(C#N)nc1)c1ccccc1F.
What is the InChIKey of 6-cyano-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is PSLAXGRQWLEYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S/c1-10(13-4-2-3-5-14(13)15)18-21(19,20)12-7-6-11(8-16)17-9-12/h2-7,9-10,18H,1H3.
What are the key properties of 6-cyano-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide?
6-cyano-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 305.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 115602456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).