1-ethyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-sulfonamide

C14H20N4O2S — CID 79369162

IUPAC1-ethyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2ccccc2C(C)NC)c1
InChIInChI=1S/C14H20N4O2S/c1-4-18-9-14(16-10-18)21(19,20)17-13-8-6-5-7-12(13)11(2)15-3/h5-11,15,17H,4H2,1-3H3
InChIKeyDFNQPFNTZFJWLJ-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.98
Rot. Bonds6

About 1-ethyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-sulfonamide

1-ethyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-sulfonamide (PubChem CID 79369162) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-ethyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-sulfonamide
PubChem CID79369162
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1-ethyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)Nc2ccccc2C(C)NC)c1
InChIInChI=1S/C14H20N4O2S/c1-4-18-9-14(16-10-18)21(19,20)17-13-8-6-5-7-12(13)11(2)15-3/h5-11,15,17H,4H2,1-3H3
InChIKeyDFNQPFNTZFJWLJ-UHFFFAOYSA-N
XLogP1.98
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-sulfonamide (CID 79369162) is 1-ethyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)Nc2ccccc2C(C)NC)c1.
What is the InChIKey of 1-ethyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-sulfonamide?
The InChIKey is DFNQPFNTZFJWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-4-18-9-14(16-10-18)21(19,20)17-13-8-6-5-7-12(13)11(2)15-3/h5-11,15,17H,4H2,1-3H3.
What are the key properties of 1-ethyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-sulfonamide?
1-ethyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-sulfonamide is sourced from PubChem (CID 79369162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).