1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide

C13H17N3O2S — CID 56787526

IUPAC1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCc1cnn(C)c1
InChIInChI=1S/C13H17N3O2S/c1-11-5-3-4-6-13(11)10-19(17,18)15-8-12-7-14-16(2)9-12/h3-7,9,15H,8,10H2,1-2H3
InChIKeyPFYYGRREKCNOKG-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.35
Rot. Bonds5

About 1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide

1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide (PubChem CID 56787526) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
PubChem CID56787526
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCc1cnn(C)c1
InChIInChI=1S/C13H17N3O2S/c1-11-5-3-4-6-13(11)10-19(17,18)15-8-12-7-14-16(2)9-12/h3-7,9,15H,8,10H2,1-2H3
InChIKeyPFYYGRREKCNOKG-UHFFFAOYSA-N
XLogP1.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 63665817
2-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106018292
1-(2-methylphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanesulfonamide
CID 110642109
2-amino-3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 103171325
N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110781515
N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide
CID 47373259
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600445
5-amino-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61351156
N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110716508
1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111287421
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110731013
N-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine
CID 105114186

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide (CID 56787526) is 1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide is Cc1ccccc1CS(=O)(=O)NCc1cnn(C)c1.
What is the InChIKey of 1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide?
The InChIKey is PFYYGRREKCNOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-11-5-3-4-6-13(11)10-19(17,18)15-8-12-7-14-16(2)9-12/h3-7,9,15H,8,10H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide?
1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide has a molecular weight of 279.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 56787526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).