4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide

C12H15N3O2S — CID 110440947

IUPAC4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nccn2C)cc1
InChIInChI=1S/C12H15N3O2S/c1-10-3-5-11(6-4-10)18(16,17)14-9-12-13-7-8-15(12)2/h3-8,14H,9H2,1-2H3
InChIKeyZBVWQFXQWPDTCH-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.21
Rot. Bonds4

About 4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide

4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide (PubChem CID 110440947) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
PubChem CID110440947
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nccn2C)cc1
InChIInChI=1S/C12H15N3O2S/c1-10-3-5-11(6-4-10)18(16,17)14-9-12-13-7-8-15(12)2/h3-8,14H,9H2,1-2H3
InChIKeyZBVWQFXQWPDTCH-UHFFFAOYSA-N
XLogP1.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 106062575
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 55171581
6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 63296118
2,4,6-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 110446025
4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide
CID 63295569
1-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrole-3-sulfonamide
CID 106062551
3-fluoro-N-[(1-methylimidazol-2-yl)methyl]-4-nitrobenzenesulfonamide
CID 82847129
4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61218136
4-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]benzenesulfonamide
CID 102352481
2,6-dimethyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 107328926
5-chloro-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 64601125
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide (CID 110440947) is 4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2nccn2C)cc1.
What is the InChIKey of 4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is ZBVWQFXQWPDTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-10-3-5-11(6-4-10)18(16,17)14-9-12-13-7-8-15(12)2/h3-8,14H,9H2,1-2H3.
What are the key properties of 4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 265.34 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110440947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).