N-(1H-imidazol-5-ylmethyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide

C13H17N3O2S — CID 146135596

IUPACN-(1H-imidazol-5-ylmethyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)N(C)Cc1cnc[nH]1
InChIInChI=1S/C13H17N3O2S/c1-11-5-3-4-6-12(11)9-19(17,18)16(2)8-13-7-14-10-15-13/h3-7,10H,8-9H2,1-2H3,(H,14,15)
InChIKeyRESCRLBIUYDRDK-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.68
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide

N-(1H-imidazol-5-ylmethyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide (PubChem CID 146135596) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide
PubChem CID146135596
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(1H-imidazol-5-ylmethyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)N(C)Cc1cnc[nH]1
InChIInChI=1S/C13H17N3O2S/c1-11-5-3-4-6-12(11)9-19(17,18)16(2)8-13-7-14-10-15-13/h3-7,10H,8-9H2,1-2H3,(H,14,15)
InChIKeyRESCRLBIUYDRDK-UHFFFAOYSA-N
XLogP1.68
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)-N-methylethanesulfonamide
CID 138032265
N-cyclopropyl-N-methyl-1-(2-methylphenyl)methanesulfonamide
CID 110726778
N-methyl-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 47121805
2-(1H-imidazol-5-yl)-N-(2-methylphenyl)acetamide
CID 110684137
2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline
CID 62762471
5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride
CID 71315842
N-(1H-imidazol-5-ylmethyl)-N-phenylaniline
CID 59728125
N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110724733
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propane-1-sulfonamide
CID 43653867
N-[(2-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)-N-propan-2-ylacetamide
CID 46990687
N-(3,4-dimethoxyphenyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide
CID 110425472
N-(1H-imidazol-5-ylmethyl)-2-methoxy-N-methylaniline
CID 59728042

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide (CID 146135596) is N-(1H-imidazol-5-ylmethyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)N(C)Cc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is RESCRLBIUYDRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-11-5-3-4-6-12(11)9-19(17,18)16(2)8-13-7-14-10-15-13/h3-7,10H,8-9H2,1-2H3,(H,14,15).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide?
N-(1H-imidazol-5-ylmethyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 279.37 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 146135596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).