N-[1-(1H-imidazol-2-yl)ethyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide

C14H20N4O2S — CID 106084997

IUPACN-[1-(1H-imidazol-2-yl)ethyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(C)c(S(=O)(=O)NC(C)c2ncc[nH]2)c1
InChIInChI=1S/C14H20N4O2S/c1-10-4-5-12(9-15-3)8-13(10)21(19,20)18-11(2)14-16-6-7-17-14/h4-8,11,15,18H,9H2,1-3H3,(H,16,17)
InChIKeyUBQOLBXLWJRUMX-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.48
Rot. Bonds6

About N-[1-(1H-imidazol-2-yl)ethyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide

N-[1-(1H-imidazol-2-yl)ethyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide (PubChem CID 106084997) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[1-(1H-imidazol-2-yl)ethyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-2-yl)ethyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
PubChem CID106084997
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[1-(1H-imidazol-2-yl)ethyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(C)c(S(=O)(=O)NC(C)c2ncc[nH]2)c1
InChIInChI=1S/C14H20N4O2S/c1-10-4-5-12(9-15-3)8-13(10)21(19,20)18-11(2)14-16-6-7-17-14/h4-8,11,15,18H,9H2,1-3H3,(H,16,17)
InChIKeyUBQOLBXLWJRUMX-UHFFFAOYSA-N
XLogP1.48
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1H-imidazol-2-yl)ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106084964
N-[1-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106085091
N-[1-(1H-imidazol-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106085042
N-[1-(1H-imidazol-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106085006
4-cyano-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106997384
2-methyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053715
5-amino-4-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 114626241
N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106074318
N-(1-ethylsulfanylpropan-2-yl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106083228
2-methyl-5-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081913
2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-sulfonamide
CID 106085015
3-(aminomethyl)-2,4-difluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
CID 106085041

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-2-yl)ethyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-[1-(1H-imidazol-2-yl)ethyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide (CID 106084997) is N-[1-(1H-imidazol-2-yl)ethyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(1H-imidazol-2-yl)ethyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(1H-imidazol-2-yl)ethyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(C)c(S(=O)(=O)NC(C)c2ncc[nH]2)c1.
What is the InChIKey of N-[1-(1H-imidazol-2-yl)ethyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
The InChIKey is UBQOLBXLWJRUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-10-4-5-12(9-15-3)8-13(10)21(19,20)18-11(2)14-16-6-7-17-14/h4-8,11,15,18H,9H2,1-3H3,(H,16,17).
What are the key properties of N-[1-(1H-imidazol-2-yl)ethyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
N-[1-(1H-imidazol-2-yl)ethyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-2-yl)ethyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106084997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).