N-[4-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]ethanesulfonamide

C15H20N4O2S — CID 18679759

IUPACN-[4-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc2c1CN(C)CC2c1cnc[nH]1
InChIInChI=1S/C15H20N4O2S/c1-3-22(20,21)18-14-6-4-5-11-12(14)8-19(2)9-13(11)15-7-16-10-17-15/h4-7,10,13,18H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyUNSCYXAUTDGEER-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.75
Rot. Bonds4

About N-[4-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]ethanesulfonamide

N-[4-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]ethanesulfonamide (PubChem CID 18679759) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[4-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]ethanesulfonamide
PubChem CID18679759
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[4-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc2c1CN(C)CC2c1cnc[nH]1
InChIInChI=1S/C15H20N4O2S/c1-3-22(20,21)18-14-6-4-5-11-12(14)8-19(2)9-13(11)15-7-16-10-17-15/h4-7,10,13,18H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyUNSCYXAUTDGEER-UHFFFAOYSA-N
XLogP1.75
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]ethanesulfonamide?
The IUPAC name of N-[4-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]ethanesulfonamide (CID 18679759) is N-[4-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]ethanesulfonamide.
What is the SMILES notation for N-[4-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]ethanesulfonamide?
The canonical SMILES for N-[4-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc2c1CN(C)CC2c1cnc[nH]1.
What is the InChIKey of N-[4-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]ethanesulfonamide?
The InChIKey is UNSCYXAUTDGEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-3-22(20,21)18-14-6-4-5-11-12(14)8-19(2)9-13(11)15-7-16-10-17-15/h4-7,10,13,18H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-[4-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]ethanesulfonamide?
N-[4-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]ethanesulfonamide has a molecular weight of 320.42 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]ethanesulfonamide is sourced from PubChem (CID 18679759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).