2-amino-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide

C13H18N4O2S — CID 61214867

IUPAC2-amino-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2nccn2C)c(N)c1
InChIInChI=1S/C13H18N4O2S/c1-10-3-4-12(11(14)9-10)20(18,19)16-6-5-13-15-7-8-17(13)2/h3-4,7-9,16H,5-6,14H2,1-2H3
InChIKeyIWAVVTUSCAGMQV-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.83
Rot. Bonds5

About 2-amino-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide

2-amino-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 61214867) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
PubChem CID61214867
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-amino-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2nccn2C)c(N)c1
InChIInChI=1S/C13H18N4O2S/c1-10-3-4-12(11(14)9-10)20(18,19)16-6-5-13-15-7-8-17(13)2/h3-4,7-9,16H,5-6,14H2,1-2H3
InChIKeyIWAVVTUSCAGMQV-UHFFFAOYSA-N
XLogP0.83
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61215128
5-amino-2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61214865
2-amino-N-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzenesulfonamide
CID 80642729
5-amino-3-fluoro-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 79900701
3-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61214726
2-amino-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 43258900
3-[2-(1-methylimidazol-2-yl)ethylsulfamoyl]pyridine-2-carbothioamide
CID 106597127
6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 62158342
4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61218136
5-methyl-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,3-diamine
CID 66278222
2-amino-4-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63981145
5,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 64608216

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide (CID 61214867) is 2-amino-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2nccn2C)c(N)c1.
What is the InChIKey of 2-amino-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is IWAVVTUSCAGMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-10-3-4-12(11(14)9-10)20(18,19)16-6-5-13-15-7-8-17(13)2/h3-4,7-9,16H,5-6,14H2,1-2H3.
What are the key properties of 2-amino-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide?
2-amino-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61214867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).