2-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide

C14H20N4O2S — CID 61215128

IUPAC2-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)NCCc2nccn2C)cc1C
InChIInChI=1S/C14H20N4O2S/c1-10-8-12(15)13(9-11(10)2)21(19,20)17-5-4-14-16-6-7-18(14)3/h6-9,17H,4-5,15H2,1-3H3
InChIKeyXHEQTYARDSQEDW-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.14
Rot. Bonds5

About 2-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide

2-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 61215128) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
PubChem CID61215128
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)NCCc2nccn2C)cc1C
InChIInChI=1S/C14H20N4O2S/c1-10-8-12(15)13(9-11(10)2)21(19,20)17-5-4-14-16-6-7-18(14)3/h6-9,17H,4-5,15H2,1-3H3
InChIKeyXHEQTYARDSQEDW-UHFFFAOYSA-N
XLogP1.14
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.14
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-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61214867
3-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61214726
5-amino-3-fluoro-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 79900701
5-amino-2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61214865
2-amino-N,4,5-trimethyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 61139198
2-amino-N-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzenesulfonamide
CID 80642729
5,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 64608216
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-cyano-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 106833177
4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 61218136
4-bromo-2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide
CID 51123228

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide (CID 61215128) is 2-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide is Cc1cc(N)c(S(=O)(=O)NCCc2nccn2C)cc1C.
What is the InChIKey of 2-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is XHEQTYARDSQEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-10-8-12(15)13(9-11(10)2)21(19,20)17-5-4-14-16-6-7-18(14)3/h6-9,17H,4-5,15H2,1-3H3.
What are the key properties of 2-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide?
2-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61215128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).