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

C14H20N4O2S — CID 63295525

IUPAC2-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NCc1nccn1C
InChIInChI=1S/C14H20N4O2S/c1-3-8-17-21(19,20)13-7-5-4-6-12(13)16-11-14-15-9-10-18(14)2/h4-7,9-10,16-17H,3,8,11H2,1-2H3
InChIKeyZKCSJTYQEGLSHB-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.72
Rot. Bonds7

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

2-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide (PubChem CID 63295525) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide
PubChem CID63295525
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NCc1nccn1C
InChIInChI=1S/C14H20N4O2S/c1-3-8-17-21(19,20)13-7-5-4-6-12(13)16-11-14-15-9-10-18(14)2/h4-7,9-10,16-17H,3,8,11H2,1-2H3
InChIKeyZKCSJTYQEGLSHB-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

4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide
CID 63295569
2-methyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62351719
2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957712
2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087854
N-[(1-methylimidazol-2-yl)methyl]naphthalen-1-amine
CID 43087970
N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide
CID 62153349
2-amino-N,N-dimethyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
CID 107116297
2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide
CID 65110251
3-[2-(1-methylimidazol-2-yl)ethylsulfamoyl]pyridine-2-carbothioamide
CID 106597127
N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114598870
2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide
CID 106277705
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-propylbenzenesulfonamide
CID 106403815

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide?
The IUPAC name of 2-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide (CID 63295525) is 2-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1NCc1nccn1C.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide?
The InChIKey is ZKCSJTYQEGLSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-8-17-21(19,20)13-7-5-4-6-12(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 2-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide?
2-[(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 2-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide is sourced from PubChem (CID 63295525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).