2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole

C13H18N4O2S — CID 47164910

IUPAC2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole
SMILESCN(C)S(=O)(=O)NC(c1ccccc1)c1nccn1C
InChIInChI=1S/C13H18N4O2S/c1-16(2)20(18,19)15-12(11-7-5-4-6-8-11)13-14-9-10-17(13)3/h4-10,12,15H,1-3H3
InChIKeyWMMYKIMWSUFYCW-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.91
Rot. Bonds5

About 2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole

2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole (PubChem CID 47164910) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole
PubChem CID47164910
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole
SMILESCN(C)S(=O)(=O)NC(c1ccccc1)c1nccn1C
InChIInChI=1S/C13H18N4O2S/c1-16(2)20(18,19)15-12(11-7-5-4-6-8-11)13-14-9-10-17(13)3/h4-10,12,15H,1-3H3
InChIKeyWMMYKIMWSUFYCW-UHFFFAOYSA-N
XLogP0.91
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(R)-(diethylsulfamoylamino)-phenylmethyl]-1-methylimidazole
CID 31080245
4-tert-butyl-2,6-dimethyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 27690542
3,4-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 17397983
4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 46653959
2-[(S)-(diethylsulfamoylamino)-(4-fluorophenyl)methyl]-1-methylimidazole
CID 31080259
2-[(4-chlorophenyl)-(diethylsulfamoylamino)methyl]-1-methylimidazole
CID 46511184
N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline
CID 12062920
8-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]quinoline-5-sulfonamide
CID 55545410
N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46696472
4-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25350052
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 25339297
2-bromo-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25345807

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole?
The IUPAC name of 2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole (CID 47164910) is 2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole.
What is the SMILES notation for 2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole?
The canonical SMILES for 2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole is CN(C)S(=O)(=O)NC(c1ccccc1)c1nccn1C.
What is the InChIKey of 2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole?
The InChIKey is WMMYKIMWSUFYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-16(2)20(18,19)15-12(11-7-5-4-6-8-11)13-14-9-10-17(13)3/h4-10,12,15H,1-3H3.
What are the key properties of 2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole?
2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole has a molecular weight of 294.38 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole is sourced from PubChem (CID 47164910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).