N,4-dimethyl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzenesulfonamide

C13H18N4O2S — CID 62743098

IUPACN,4-dimethyl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)c(NCc2cnc(C)[nH]2)c1
InChIInChI=1S/C13H18N4O2S/c1-9-4-5-12(20(18,19)14-3)6-13(9)16-8-11-7-15-10(2)17-11/h4-7,14,16H,8H2,1-3H3,(H,15,17)
InChIKeyHGMFBEDHJXLQEM-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.55
Rot. Bonds5

About N,4-dimethyl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzenesulfonamide

N,4-dimethyl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzenesulfonamide (PubChem CID 62743098) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N,4-dimethyl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzenesulfonamide
PubChem CID62743098
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN,4-dimethyl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C)c(NCc2cnc(C)[nH]2)c1
InChIInChI=1S/C13H18N4O2S/c1-9-4-5-12(20(18,19)14-3)6-13(9)16-8-11-7-15-10(2)17-11/h4-7,14,16H,8H2,1-3H3,(H,15,17)
InChIKeyHGMFBEDHJXLQEM-UHFFFAOYSA-N
XLogP1.55
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-3-[(1-methylimidazol-4-yl)methylamino]benzenesulfonamide
CID 166178590
4-methyl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzonitrile
CID 55114175
3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666567
N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-methylsulfonylaniline
CID 62741398
N,4-dimethyl-3-(pentylamino)benzenesulfonamide
CID 43752016
4-chloro-2-fluoro-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 62743265
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfonylaniline
CID 62742178
2,5-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666569
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-nitroaniline
CID 62744008
4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666564
N-[4-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanesulfonamide
CID 62741428
3-[(3-methoxy-2-methylpropyl)amino]-N,4-dimethylbenzenesulfonamide
CID 116501144

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzenesulfonamide (CID 62743098) is N,4-dimethyl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzenesulfonamide is CNS(=O)(=O)c1ccc(C)c(NCc2cnc(C)[nH]2)c1.
What is the InChIKey of N,4-dimethyl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzenesulfonamide?
The InChIKey is HGMFBEDHJXLQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-9-4-5-12(20(18,19)14-3)6-13(9)16-8-11-7-15-10(2)17-11/h4-7,14,16H,8H2,1-3H3,(H,15,17).
What are the key properties of N,4-dimethyl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzenesulfonamide?
N,4-dimethyl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 62743098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).