1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-sulfonamide

C10H15N5O2S — CID 79372698

IUPAC1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NCCc2cnc[nH]2)c1
InChIInChI=1S/C10H15N5O2S/c1-2-15-6-10(13-8-15)18(16,17)14-4-3-9-5-11-7-12-9/h5-8,14H,2-4H2,1H3,(H,11,12)
InChIKeyZFZZVBXLYNLCMV-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.15
Rot. Bonds6

About 1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-sulfonamide

1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-sulfonamide (PubChem CID 79372698) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-sulfonamide
PubChem CID79372698
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NCCc2cnc[nH]2)c1
InChIInChI=1S/C10H15N5O2S/c1-2-15-6-10(13-8-15)18(16,17)14-4-3-9-5-11-7-12-9/h5-8,14H,2-4H2,1H3,(H,11,12)
InChIKeyZFZZVBXLYNLCMV-UHFFFAOYSA-N
XLogP0.15
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-ethylimidazol-4-yl)sulfonylamino]propanoic acid
CID 79373798
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 65231693
N-(4-chlorobutyl)-1-ethylimidazole-4-sulfonamide
CID 106846497
N-(5-aminopentyl)-1-ethylimidazole-4-sulfonamide
CID 79373974
1-ethyl-N-pent-3-ynylimidazole-4-sulfonamide
CID 116645236
N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrole-3-sulfonamide
CID 65231514
N-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65231692
N-(2-azidoethyl)-1-ethylimidazole-4-sulfonamide
CID 79373404
1-ethyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide;dihydrochloride
CID 119966513
4-[(1-ethylimidazol-4-yl)sulfonylamino]-3-methylbutanoic acid
CID 81066185
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpyrazole-3-sulfonamide
CID 104710176
2-[[2-[(1-ethylimidazol-4-yl)sulfonylamino]acetyl]amino]acetic acid
CID 79373274

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-sulfonamide (CID 79372698) is 1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)NCCc2cnc[nH]2)c1.
What is the InChIKey of 1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-sulfonamide?
The InChIKey is ZFZZVBXLYNLCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-2-15-6-10(13-8-15)18(16,17)14-4-3-9-5-11-7-12-9/h5-8,14H,2-4H2,1H3,(H,11,12).
What are the key properties of 1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-sulfonamide?
1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]imidazole-4-sulfonamide has a molecular weight of 269.33 g/mol, XLogP of 0.15, 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-(1H-imidazol-5-yl)ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 79372698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).