2-methyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide

C12H16N4O2S — CID 62351719

IUPAC2-methyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
SMILESCc1c(NCc2nccn2C)cccc1S(N)(=O)=O
InChIInChI=1S/C12H16N4O2S/c1-9-10(4-3-5-11(9)19(13,17)18)15-8-12-14-6-7-16(12)2/h3-7,15H,8H2,1-2H3,(H2,13,17,18)
InChIKeyUQIROOGKWQNHKJ-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.99
Rot. Bonds4

About 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide

2-methyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide (PubChem CID 62351719) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
PubChem CID62351719
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-methyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
SMILESCc1c(NCc2nccn2C)cccc1S(N)(=O)=O
InChIInChI=1S/C12H16N4O2S/c1-9-10(4-3-5-11(9)19(13,17)18)15-8-12-14-6-7-16(12)2/h3-7,15H,8H2,1-2H3,(H2,13,17,18)
InChIKeyUQIROOGKWQNHKJ-UHFFFAOYSA-N
XLogP0.99
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N,N-dimethyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
CID 107116297
2-amino-3-[2-(1-methylimidazol-2-yl)ethylamino]benzenesulfonamide
CID 115992604
2,3-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine
CID 138489685
2-methyl-3-[(3-methylimidazol-4-yl)methylamino]benzenesulfonamide
CID 66117075
N-[(1-methylimidazol-2-yl)methyl]naphthalen-1-amine
CID 43087970
2-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide
CID 63295525
N-[(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114598870
2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087854
2-methyl-6-[(1-methylimidazol-2-yl)methylamino]benzonitrile
CID 114002963
2-methyl-3-N-[2-(1-methylimidazol-2-yl)ethyl]benzene-1,3-diamine
CID 63061895
2-chloro-N-[(1-methylimidazol-2-yl)methyl]-5-methylsulfonylaniline
CID 55064722
2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527496

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide?
The IUPAC name of 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide (CID 62351719) is 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide?
The canonical SMILES for 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide is Cc1c(NCc2nccn2C)cccc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide?
The InChIKey is UQIROOGKWQNHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9-10(4-3-5-11(9)19(13,17)18)15-8-12-14-6-7-16(12)2/h3-7,15H,8H2,1-2H3,(H2,13,17,18).
What are the key properties of 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide?
2-methyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 62351719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).