4-(2-aminoethoxy)-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide

C13H18N4O3S — CID 106084999

IUPAC4-(2-aminoethoxy)-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(OCCN)cc1)c1ncc[nH]1
InChIInChI=1S/C13H18N4O3S/c1-10(13-15-7-8-16-13)17-21(18,19)12-4-2-11(3-5-12)20-9-6-14/h2-5,7-8,10,17H,6,9,14H2,1H3,(H,15,16)
InChIKeyJIGFFGNZTZUFDU-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.79
Rot. Bonds7

About 4-(2-aminoethoxy)-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide

4-(2-aminoethoxy)-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 106084999) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-aminoethoxy)-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
PubChem CID106084999
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name4-(2-aminoethoxy)-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(OCCN)cc1)c1ncc[nH]1
InChIInChI=1S/C13H18N4O3S/c1-10(13-15-7-8-16-13)17-21(18,19)12-4-2-11(3-5-12)20-9-6-14/h2-5,7-8,10,17H,6,9,14H2,1H3,(H,15,16)
InChIKeyJIGFFGNZTZUFDU-UHFFFAOYSA-N
XLogP0.79
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-2,4-difluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
CID 106085041
1-(2-aminoethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 106084971
4-(2-aminoethoxy)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 106068700
4-(2-aminoethoxy)-N-(1-ethoxypropan-2-yl)benzenesulfonamide
CID 106054212
2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-sulfonamide
CID 106085015
3-amino-5-fluoro-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxybenzenesulfonamide
CID 114626240
N-[1-(1H-imidazol-2-yl)ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106084964
4-cyano-N-[1-(1H-imidazol-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 106997384
5-[1-(1H-imidazol-2-yl)ethylsulfamoyl]thiophene-2-carbothioamide
CID 106271860
4-(2-aminoethoxy)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064727
4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide
CID 106078716
5-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106085088

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(2-aminoethoxy)-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide (CID 106084999) is 4-(2-aminoethoxy)-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-aminoethoxy)-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(2-aminoethoxy)-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(OCCN)cc1)c1ncc[nH]1.
What is the InChIKey of 4-(2-aminoethoxy)-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is JIGFFGNZTZUFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-10(13-15-7-8-16-13)17-21(18,19)12-4-2-11(3-5-12)20-9-6-14/h2-5,7-8,10,17H,6,9,14H2,1H3,(H,15,16).
What are the key properties of 4-(2-aminoethoxy)-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide?
4-(2-aminoethoxy)-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106084999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).