2,6-dimethyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide

C14H20N4O2S — CID 107328926

IUPAC2,6-dimethyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCNc1cc(C)c(S(=O)(=O)NCc2nccn2C)c(C)c1
InChIInChI=1S/C14H20N4O2S/c1-10-7-12(15-3)8-11(2)14(10)21(19,20)17-9-13-16-5-6-18(13)4/h5-8,15,17H,9H2,1-4H3
InChIKeyOEWFGOQVLSLBBK-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.56
Rot. Bonds5

About 2,6-dimethyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide

2,6-dimethyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide (PubChem CID 107328926) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2,6-dimethyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dimethyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
PubChem CID107328926
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2,6-dimethyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
SMILESCNc1cc(C)c(S(=O)(=O)NCc2nccn2C)c(C)c1
InChIInChI=1S/C14H20N4O2S/c1-10-7-12(15-3)8-11(2)14(10)21(19,20)17-9-13-16-5-6-18(13)4/h5-8,15,17H,9H2,1-4H3
InChIKeyOEWFGOQVLSLBBK-UHFFFAOYSA-N
XLogP1.56
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 110446025
4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 110440947
1-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrole-3-sulfonamide
CID 106062551
5-chloro-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 64601125
5-(aminomethyl)-4-methyl-N-[(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106062569
5-bromo-2-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 63295582
2,6-dimethyl-4-(methylamino)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 107328831
2,6-dimethyl-4-(methylamino)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide
CID 107329045
2,6-dimethyl-4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 107329060
4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 106062575
2-amino-N-[(1-methylimidazol-2-yl)methyl]ethanesulfonamide
CID 63293807
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 55171581

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,6-dimethyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide (CID 107328926) is 2,6-dimethyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dimethyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,6-dimethyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide is CNc1cc(C)c(S(=O)(=O)NCc2nccn2C)c(C)c1.
What is the InChIKey of 2,6-dimethyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is OEWFGOQVLSLBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-10-7-12(15-3)8-11(2)14(10)21(19,20)17-9-13-16-5-6-18(13)4/h5-8,15,17H,9H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide?
2,6-dimethyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 107328926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).