4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide

C14H20N4O2S — CID 63295569

IUPAC4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NCc2nccn2C)cc1
InChIInChI=1S/C14H20N4O2S/c1-3-8-17-21(19,20)13-6-4-12(5-7-13)16-11-14-15-9-10-18(14)2/h4-7,9-10,16-17H,3,8,11H2,1-2H3
InChIKeyDEJGHGXZKPRHPB-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.72
Rot. Bonds7

About 4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide

4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide (PubChem CID 63295569) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide
PubChem CID63295569
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NCc2nccn2C)cc1
InChIInChI=1S/C14H20N4O2S/c1-3-8-17-21(19,20)13-6-4-12(5-7-13)16-11-14-15-9-10-18(14)2/h4-7,9-10,16-17H,3,8,11H2,1-2H3
InChIKeyDEJGHGXZKPRHPB-UHFFFAOYSA-N
XLogP1.72
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide
CID 63295525
N-butyl-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
CID 75426047
4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 110440947
N-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62349942
N-[2-(1-methylimidazol-2-yl)ethyl]-4-(propylsulfamoyl)benzamide
CID 91834351
4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61218136
6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 63296118
4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 106062575
4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087975
4-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62351704
4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62957865
4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087956

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide (CID 63295569) is 4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(NCc2nccn2C)cc1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide?
The InChIKey is DEJGHGXZKPRHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-8-17-21(19,20)13-6-4-12(5-7-13)16-11-14-15-9-10-18(14)2/h4-7,9-10,16-17H,3,8,11H2,1-2H3.
What are the key properties of 4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide?
4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide is sourced from PubChem (CID 63295569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).