N-[3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenyl]methanesulfonamide;hydrochloride

C13H20ClN3O2S — CID 18789676

IUPACN-[3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenyl]methanesulfonamide;hydrochloride
SMILESCc1cc(CC2=NCCN2)c(C)c(NS(C)(=O)=O)c1.Cl
InChIInChI=1S/C13H19N3O2S.ClH/c1-9-6-11(8-13-14-4-5-15-13)10(2)12(7-9)16-19(3,17)18;/h6-7,16H,4-5,8H2,1-3H3,(H,14,15);1H
InChIKeyJAOXFSOKJQHARZ-UHFFFAOYSA-N
MW317.84 g/mol
LogP1.64
Rot. Bonds4

About N-[3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenyl]methanesulfonamide;hydrochloride

N-[3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenyl]methanesulfonamide;hydrochloride (PubChem CID 18789676) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is N-[3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenyl]methanesulfonamide;hydrochloride
PubChem CID18789676
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC NameN-[3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenyl]methanesulfonamide;hydrochloride
SMILESCc1cc(CC2=NCCN2)c(C)c(NS(C)(=O)=O)c1.Cl
InChIInChI=1S/C13H19N3O2S.ClH/c1-9-6-11(8-13-14-4-5-15-13)10(2)12(7-9)16-19(3,17)18;/h6-7,16H,4-5,8H2,1-3H3,(H,14,15);1H
InChIKeyJAOXFSOKJQHARZ-UHFFFAOYSA-N
XLogP1.64
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenyl]methanesulfonamide;hydrochloride (CID 18789676) is N-[3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenyl]methanesulfonamide;hydrochloride is Cc1cc(CC2=NCCN2)c(C)c(NS(C)(=O)=O)c1.Cl.
What is the InChIKey of N-[3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenyl]methanesulfonamide;hydrochloride?
The InChIKey is JAOXFSOKJQHARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S.ClH/c1-9-6-11(8-13-14-4-5-15-13)10(2)12(7-9)16-19(3,17)18;/h6-7,16H,4-5,8H2,1-3H3,(H,14,15);1H.
What are the key properties of N-[3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenyl]methanesulfonamide;hydrochloride?
N-[3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenyl]methanesulfonamide;hydrochloride has a molecular weight of 317.84 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,5-dimethylphenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 18789676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).