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

C14H14N4O2S — CID 61292986

IUPACN-(5-amino-4-methyl-2-pyridinyl)-1-(4-cyanophenyl)methanesulfonamide
SMILESCc1cc(NS(=O)(=O)Cc2ccc(C#N)cc2)ncc1N
InChIInChI=1S/C14H14N4O2S/c1-10-6-14(17-8-13(10)16)18-21(19,20)9-12-4-2-11(7-15)3-5-12/h2-6,8H,9,16H2,1H3,(H,17,18)
InChIKeyHLNFHDRYCXCHHY-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.79
Rot. Bonds4

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

N-(5-amino-4-methyl-2-pyridinyl)-1-(4-cyanophenyl)methanesulfonamide (PubChem CID 61292986) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(5-amino-4-methyl-2-pyridinyl)-1-(4-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-amino-4-methyl-2-pyridinyl)-1-(4-cyanophenyl)methanesulfonamide
PubChem CID61292986
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-(5-amino-4-methyl-2-pyridinyl)-1-(4-cyanophenyl)methanesulfonamide
SMILESCc1cc(NS(=O)(=O)Cc2ccc(C#N)cc2)ncc1N
InChIInChI=1S/C14H14N4O2S/c1-10-6-14(17-8-13(10)16)18-21(19,20)9-12-4-2-11(7-15)3-5-12/h2-6,8H,9,16H2,1H3,(H,17,18)
InChIKeyHLNFHDRYCXCHHY-UHFFFAOYSA-N
XLogP1.79
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyanophenyl)-N-(5-methyl-2-pyridinyl)methanesulfonamide
CID 29041806
1-(4-cyanophenyl)-N-(5-methyl-1H-pyrazol-3-yl)methanesulfonamide
CID 63821706
5-amino-2-(dimethylsulfamoylamino)-4-methylpyridine
CID 61292614
1-(4-cyanophenyl)-N-(6-methyl-2-pyridinyl)methanesulfonamide
CID 29049983
1-(4-cyanophenyl)-N-[(6-methyl-3-pyridinyl)methyl]methanesulfonamide
CID 61067577
1-(4-cyanophenyl)-N-(1-methylpyrazol-3-yl)methanesulfonamide
CID 60703867
methyl 3-[(5-amino-4-methyl-2-pyridinyl)sulfamoyl]propanoate
CID 54952595
N-(5-amino-4-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 61293532
N-(4-amino-3-methylphenyl)-1-(3-cyanophenyl)methanesulfonamide
CID 43604837
1-(4-cyanophenyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 115909173
4-methyl-2-N-[(4-methylsulfonylphenyl)methyl]pyridine-2,5-diamine
CID 79175645
1-(4-cyanophenyl)-N-(4-methyl-1,3-oxazol-2-yl)methanesulfonamide
CID 115972431

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methyl-2-pyridinyl)-1-(4-cyanophenyl)methanesulfonamide?
The IUPAC name of N-(5-amino-4-methyl-2-pyridinyl)-1-(4-cyanophenyl)methanesulfonamide (CID 61292986) is N-(5-amino-4-methyl-2-pyridinyl)-1-(4-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-(5-amino-4-methyl-2-pyridinyl)-1-(4-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-(5-amino-4-methyl-2-pyridinyl)-1-(4-cyanophenyl)methanesulfonamide is Cc1cc(NS(=O)(=O)Cc2ccc(C#N)cc2)ncc1N.
What is the InChIKey of N-(5-amino-4-methyl-2-pyridinyl)-1-(4-cyanophenyl)methanesulfonamide?
The InChIKey is HLNFHDRYCXCHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-10-6-14(17-8-13(10)16)18-21(19,20)9-12-4-2-11(7-15)3-5-12/h2-6,8H,9,16H2,1H3,(H,17,18).
What are the key properties of N-(5-amino-4-methyl-2-pyridinyl)-1-(4-cyanophenyl)methanesulfonamide?
N-(5-amino-4-methyl-2-pyridinyl)-1-(4-cyanophenyl)methanesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methyl-2-pyridinyl)-1-(4-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 61292986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).