N-[5-(aminomethyl)-2-methylphenyl]-1-methylimidazole-4-sulfonamide

C12H16N4O2S — CID 62373444

IUPACN-[5-(aminomethyl)-2-methylphenyl]-1-methylimidazole-4-sulfonamide
SMILESCc1ccc(CN)cc1NS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C12H16N4O2S/c1-9-3-4-10(6-13)5-11(9)15-19(17,18)12-7-16(2)8-14-12/h3-5,7-8,15H,6,13H2,1-2H3
InChIKeyAZKJTOMDCFMWGO-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.99
Rot. Bonds4

About N-[5-(aminomethyl)-2-methylphenyl]-1-methylimidazole-4-sulfonamide

N-[5-(aminomethyl)-2-methylphenyl]-1-methylimidazole-4-sulfonamide (PubChem CID 62373444) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-methylphenyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-methylphenyl]-1-methylimidazole-4-sulfonamide
PubChem CID62373444
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-[5-(aminomethyl)-2-methylphenyl]-1-methylimidazole-4-sulfonamide
SMILESCc1ccc(CN)cc1NS(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C12H16N4O2S/c1-9-3-4-10(6-13)5-11(9)15-19(17,18)12-7-16(2)8-14-12/h3-5,7-8,15H,6,13H2,1-2H3
InChIKeyAZKJTOMDCFMWGO-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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]-1-methylimidazole-4-sulfonamide (CID 62373444) is N-[5-(aminomethyl)-2-methylphenyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-methylphenyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[5-(aminomethyl)-2-methylphenyl]-1-methylimidazole-4-sulfonamide is Cc1ccc(CN)cc1NS(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-[5-(aminomethyl)-2-methylphenyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is AZKJTOMDCFMWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9-3-4-10(6-13)5-11(9)15-19(17,18)12-7-16(2)8-14-12/h3-5,7-8,15H,6,13H2,1-2H3.
What are the key properties of N-[5-(aminomethyl)-2-methylphenyl]-1-methylimidazole-4-sulfonamide?
N-[5-(aminomethyl)-2-methylphenyl]-1-methylimidazole-4-sulfonamide 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 N-[5-(aminomethyl)-2-methylphenyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62373444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).