2-(ethylaminomethyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide

C13H18N4O2S — CID 106069257

IUPAC2-(ethylaminomethyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
SMILESCCNCc1ccccc1S(=O)(=O)NCc1ncc[nH]1
InChIInChI=1S/C13H18N4O2S/c1-2-14-9-11-5-3-4-6-12(11)20(18,19)17-10-13-15-7-8-16-13/h3-8,14,17H,2,9-10H2,1H3,(H,15,16)
InChIKeyUJLYUSBJRQPRNZ-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.00
Rot. Bonds7

About 2-(ethylaminomethyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide

2-(ethylaminomethyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide (PubChem CID 106069257) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
PubChem CID106069257
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-(ethylaminomethyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
SMILESCCNCc1ccccc1S(=O)(=O)NCc1ncc[nH]1
InChIInChI=1S/C13H18N4O2S/c1-2-14-9-11-5-3-4-6-12(11)20(18,19)17-10-13-15-7-8-16-13/h3-8,14,17H,2,9-10H2,1H3,(H,15,16)
InChIKeyUJLYUSBJRQPRNZ-UHFFFAOYSA-N
XLogP1.00
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 106069321
N-[2-(1H-imidazol-2-yl)ethyl]-2-(methylaminomethyl)benzenesulfonamide
CID 106085257
2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423811
3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64532116
2-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64525744
2-[(1H-imidazol-2-ylmethylamino)methyl]phenol
CID 63001095
N-(1H-imidazol-2-ylmethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106069311
1-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanesulfonamide
CID 64530642
4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64529323
N-(1H-imidazol-2-ylmethyl)-2,5-dimethylthiophene-3-sulfonamide
CID 64531136
3-amino-N-(1H-imidazol-2-ylmethyl)-2-nitrobenzenesulfonamide
CID 115993693
N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide
CID 106019677

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide (CID 106069257) is 2-(ethylaminomethyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide is CCNCc1ccccc1S(=O)(=O)NCc1ncc[nH]1.
What is the InChIKey of 2-(ethylaminomethyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide?
The InChIKey is UJLYUSBJRQPRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-2-14-9-11-5-3-4-6-12(11)20(18,19)17-10-13-15-7-8-16-13/h3-8,14,17H,2,9-10H2,1H3,(H,15,16).
What are the key properties of 2-(ethylaminomethyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide?
2-(ethylaminomethyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106069257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).