1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide

C15H15N3O2S — CID 61067577

IUPAC1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide
SMILESCc1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2)cn1
InChIInChI=1S/C15H15N3O2S/c1-12-2-3-15(9-17-12)10-18-21(19,20)11-14-6-4-13(8-16)5-7-14/h2-7,9,18H,10-11H2,1H3
InChIKeyVPXVBWWRYYDBSU-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.88
Rot. Bonds5

About 1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide

1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide (PubChem CID 61067577) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide
PubChem CID61067577
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide
SMILESCc1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2)cn1
InChIInChI=1S/C15H15N3O2S/c1-12-2-3-15(9-17-12)10-18-21(19,20)11-14-6-4-13(8-16)5-7-14/h2-7,9,18H,10-11H2,1H3
InChIKeyVPXVBWWRYYDBSU-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide
CID 29041806
5-[(dimethylsulfamoylamino)methyl]-2-methylpyridine
CID 47215825
1-(4-cyanophenyl)-N-(1H-pyrrol-3-ylmethyl)methanesulfonamide
CID 106384997
1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
CID 63821706
1-(4-cyanophenyl)-N-(3-methylbut-2-enyl)methanesulfonamide
CID 106189115
1-(4-cyanophenyl)-N-(6-methyl-2-pyridinyl)methanesulfonamide
CID 29049983
N-[(4-cyanophenyl)methyl]-2-hydroxyethanesulfonamide
CID 79578689
N-[(4-cyanophenyl)methyl]-3-methylbutane-1-sulfonamide
CID 55261185
N-(5-amino-4-methyl-2-pyridinyl)-1-(4-cyanophenyl)methanesulfonamide
CID 61292986
6-methylpyridine-3-carbonitrile;propane
CID 142590874
4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 63008707
1-(4-cyanophenyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 43242571

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide (CID 61067577) is 1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide is Cc1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2)cn1.
What is the InChIKey of 1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide?
The InChIKey is VPXVBWWRYYDBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-12-2-3-15(9-17-12)10-18-21(19,20)11-14-6-4-13(8-16)5-7-14/h2-7,9,18H,10-11H2,1H3.
What are the key properties of 1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide?
1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide is sourced from PubChem (CID 61067577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).