3,4-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide

C19H21N3O2S — CID 17397983

IUPAC3,4-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2ccccc2)c2nccn2C)cc1C
InChIInChI=1S/C19H21N3O2S/c1-14-9-10-17(13-15(14)2)25(23,24)21-18(16-7-5-4-6-8-16)19-20-11-12-22(19)3/h4-13,18,21H,1-3H3
InChIKeyBQWIXIJYKOQAKL-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.10
Rot. Bonds5

About 3,4-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide

3,4-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide (PubChem CID 17397983) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
PubChem CID17397983
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name3,4-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2ccccc2)c2nccn2C)cc1C
InChIInChI=1S/C19H21N3O2S/c1-14-9-10-17(13-15(14)2)25(23,24)21-18(16-7-5-4-6-8-16)19-20-11-12-22(19)3/h4-13,18,21H,1-3H3
InChIKeyBQWIXIJYKOQAKL-UHFFFAOYSA-N
XLogP3.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 40797862
4-tert-butyl-2,6-dimethyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 27690542
4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 46653959
4-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]-3-nitrobenzenesulfonamide
CID 55456691
8-methyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]quinoline-5-sulfonamide
CID 55545410
4-fluoro-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 25350052
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-3-nitrobenzenesulfonamide
CID 55457463
4-methoxy-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethylbenzenesulfonamide
CID 112823084
1-(3,4-dimethylphenyl)sulfonyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-4-carboxamide
CID 25367078
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 40939712
2-[(dimethylsulfamoylamino)-phenylmethyl]-1-methylimidazole
CID 47164910
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide (CID 17397983) is 3,4-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(c2ccccc2)c2nccn2C)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide?
The InChIKey is BQWIXIJYKOQAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-14-9-10-17(13-15(14)2)25(23,24)21-18(16-7-5-4-6-8-16)19-20-11-12-22(19)3/h4-13,18,21H,1-3H3.
What are the key properties of 3,4-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide?
3,4-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzenesulfonamide is sourced from PubChem (CID 17397983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).