1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide

C14H13N3O2S — CID 29041806

IUPAC1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccc(C#N)cc2)nc1
InChIInChI=1S/C14H13N3O2S/c1-11-2-7-14(16-9-11)17-20(18,19)10-13-5-3-12(8-15)4-6-13/h2-7,9H,10H2,1H3,(H,16,17)
InChIKeySMMDUXISJZAJGC-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.20
Rot. Bonds4

About 1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide

1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide (PubChem CID 29041806) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide
PubChem CID29041806
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccc(C#N)cc2)nc1
InChIInChI=1S/C14H13N3O2S/c1-11-2-7-14(16-9-11)17-20(18,19)10-13-5-3-12(8-15)4-6-13/h2-7,9H,10H2,1H3,(H,16,17)
InChIKeySMMDUXISJZAJGC-UHFFFAOYSA-N
XLogP2.20
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-4-methyl-2-pyridinyl)-1-(4-cyanophenyl)methanesulfonamide
CID 61292986
1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
CID 63821706
1-(4-cyanophenyl)-N-(6-methyl-2-pyridinyl)methanesulfonamide
CID 29049983
1-(4-cyanophenyl)-N-(2-hydroxy-4-methylphenyl)methanesulfonamide
CID 43384860
2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 80704923
1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide
CID 61067577
1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide
CID 60703867
1-(4-cyanophenyl)-N-(4-methyl-1,3-oxazol-2-yl)methanesulfonamide
CID 115972431
1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 115909173
ethyl 2-[(5-cyano-2-pyridinyl)sulfamoyl]acetate
CID 55063325
4-[(5-methyl-2-pyridinyl)methyl]benzonitrile
CID 166687753
4-chloro-N-(5-methyl-2-pyridinyl)butane-1-sulfonamide
CID 116815095

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide (CID 29041806) is 1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide is Cc1ccc(NS(=O)(=O)Cc2ccc(C#N)cc2)nc1.
What is the InChIKey of 1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide?
The InChIKey is SMMDUXISJZAJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-11-2-7-14(16-9-11)17-20(18,19)10-13-5-3-12(8-15)4-6-13/h2-7,9H,10H2,1H3,(H,16,17).
What are the key properties of 1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide?
1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide is sourced from PubChem (CID 29041806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).