2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide

C15H15N3O2S — CID 106545234

IUPAC2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide
SMILESCC(CNS(=O)(=O)c1cccnc1C#N)c1ccccc1
InChIInChI=1S/C15H15N3O2S/c1-12(13-6-3-2-4-7-13)11-18-21(19,20)15-8-5-9-17-14(15)10-16/h2-9,12,18H,11H2,1H3
InChIKeyVXTWIQRRDPXOLS-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.04
Rot. Bonds5

About 2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide

2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide (PubChem CID 106545234) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide
PubChem CID106545234
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide
SMILESCC(CNS(=O)(=O)c1cccnc1C#N)c1ccccc1
InChIInChI=1S/C15H15N3O2S/c1-12(13-6-3-2-4-7-13)11-18-21(19,20)15-8-5-9-17-14(15)10-16/h2-9,12,18H,11H2,1H3
InChIKeyVXTWIQRRDPXOLS-UHFFFAOYSA-N
XLogP2.04
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(2-hydroxy-2-phenylethyl)pyridine-3-sulfonamide
CID 106546169
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
2-cyano-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 106546061
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 106545154
3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid
CID 106593255
3-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 106593434
2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
CID 106546033
2-cyano-N-ethoxypyridine-3-sulfonamide
CID 106593512
2-cyano-N-(4-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 106545893
2-cyano-N-pent-4-ynylpyridine-3-sulfonamide
CID 106546358
2-cyano-N-[(1-methylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 106546512

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide (CID 106545234) is 2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide is CC(CNS(=O)(=O)c1cccnc1C#N)c1ccccc1.
What is the InChIKey of 2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide?
The InChIKey is VXTWIQRRDPXOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-12(13-6-3-2-4-7-13)11-18-21(19,20)15-8-5-9-17-14(15)10-16/h2-9,12,18H,11H2,1H3.
What are the key properties of 2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide?
2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106545234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).