1-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)methanesulfonamide

C15H15N3O2S — CID 60729368

IUPAC1-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)NCCc1cccnc1
InChIInChI=1S/C15H15N3O2S/c16-10-14-5-1-2-6-15(14)12-21(19,20)18-9-7-13-4-3-8-17-11-13/h1-6,8,11,18H,7,9,12H2
InChIKeyMBMYWMQPRWPLSS-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.62
Rot. Bonds6

About 1-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)methanesulfonamide

1-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)methanesulfonamide (PubChem CID 60729368) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)methanesulfonamide
PubChem CID60729368
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name1-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)NCCc1cccnc1
InChIInChI=1S/C15H15N3O2S/c16-10-14-5-1-2-6-15(14)12-21(19,20)18-9-7-13-4-3-8-17-11-13/h1-6,8,11,18H,7,9,12H2
InChIKeyMBMYWMQPRWPLSS-UHFFFAOYSA-N
XLogP1.62
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyanophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]methanesulfonamide
CID 65231409
3-[2-(sulfamoylamino)ethyl]pyridine
CID 112684347
1-(2-cyanophenyl)-N-(4-methyl-3-pyridinyl)methanesulfonamide
CID 63327321
1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107595131
1-(2-cyanophenyl)-N-[2-(cyclopenten-1-yl)ethyl]methanesulfonamide
CID 103844643
2-(2-pyridin-3-ylethylamino)pyridine-3-carbonitrile
CID 60725697
3-[(2-cyanophenyl)methylsulfonylamino]propanamide
CID 43553730
1-(2-cyanophenyl)-N-(2-cyclopentylethyl)methanesulfonamide
CID 60733971
2-cyano-N-(2-phenylethyl)benzenesulfonamide
CID 3500877
2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 81241998
N-(3-azidopropyl)-1-(2-cyanophenyl)methanesulfonamide
CID 61344906
1-(2-cyanophenyl)-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide
CID 104600391

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)methanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)methanesulfonamide (CID 60729368) is 1-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)methanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)methanesulfonamide is N#Cc1ccccc1CS(=O)(=O)NCCc1cccnc1.
What is the InChIKey of 1-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)methanesulfonamide?
The InChIKey is MBMYWMQPRWPLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c16-10-14-5-1-2-6-15(14)12-21(19,20)18-9-7-13-4-3-8-17-11-13/h1-6,8,11,18H,7,9,12H2.
What are the key properties of 1-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)methanesulfonamide?
1-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)methanesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-(2-pyridin-3-ylethyl)methanesulfonamide is sourced from PubChem (CID 60729368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).