4-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride

C15H22ClN3O2S — CID 6603520

IUPAC4-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N(Cc2nccn2C)C(C)C)cc1.Cl
InChIInChI=1S/C15H21N3O2S.ClH/c1-12(2)18(11-15-16-9-10-17(15)4)21(19,20)14-7-5-13(3)6-8-14;/h5-10,12H,11H2,1-4H3;1H
InChIKeyUYUBGLYNQNVEIS-UHFFFAOYSA-N
MW343.88 g/mol
LogP2.75
Rot. Bonds5

About 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride

4-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride (PubChem CID 6603520) has the molecular formula C15H22ClN3O2S and a molecular weight of 343.88 g/mol. Its IUPAC name is 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
PubChem CID6603520
Molecular FormulaC15H22ClN3O2S
Molecular Weight343.88 g/mol
Exact Mass343.11
IUPAC Name4-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N(Cc2nccn2C)C(C)C)cc1.Cl
InChIInChI=1S/C15H21N3O2S.ClH/c1-12(2)18(11-15-16-9-10-17(15)4)21(19,20)14-7-5-13(3)6-8-14;/h5-10,12H,11H2,1-4H3;1H
InChIKeyUYUBGLYNQNVEIS-UHFFFAOYSA-N
XLogP2.75
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride (CID 6603520) is 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)N(Cc2nccn2C)C(C)C)cc1.Cl.
What is the InChIKey of 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride?
The InChIKey is UYUBGLYNQNVEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S.ClH/c1-12(2)18(11-15-16-9-10-17(15)4)21(19,20)14-7-5-13(3)6-8-14;/h5-10,12H,11H2,1-4H3;1H.
What are the key properties of 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride?
4-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride has a molecular weight of 343.88 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 6603520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).