1,2-dimethyl-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide

C14H17N7O2S — CID 122243783

IUPAC1,2-dimethyl-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCCn2ccnc2-c2cnccn2)cn1C
InChIInChI=1S/C14H17N7O2S/c1-11-19-13(10-20(11)2)24(22,23)18-6-8-21-7-5-17-14(21)12-9-15-3-4-16-12/h3-5,7,9-10,18H,6,8H2,1-2H3
InChIKeyNLGWEKYOPKRDHI-UHFFFAOYSA-N
MW347.40 g/mol
LogP0.36
Rot. Bonds6

About 1,2-dimethyl-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide

1,2-dimethyl-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide (PubChem CID 122243783) has the molecular formula C14H17N7O2S and a molecular weight of 347.40 g/mol. Its IUPAC name is 1,2-dimethyl-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide
PubChem CID122243783
Molecular FormulaC14H17N7O2S
Molecular Weight347.40 g/mol
Exact Mass347.12
IUPAC Name1,2-dimethyl-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCCn2ccnc2-c2cnccn2)cn1C
InChIInChI=1S/C14H17N7O2S/c1-11-19-13(10-20(11)2)24(22,23)18-6-8-21-7-5-17-14(21)12-9-15-3-4-16-12/h3-5,7,9-10,18H,6,8H2,1-2H3
InChIKeyNLGWEKYOPKRDHI-UHFFFAOYSA-N
XLogP0.36
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide (CID 122243783) is 1,2-dimethyl-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NCCn2ccnc2-c2cnccn2)cn1C.
What is the InChIKey of 1,2-dimethyl-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide?
The InChIKey is NLGWEKYOPKRDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O2S/c1-11-19-13(10-20(11)2)24(22,23)18-6-8-21-7-5-17-14(21)12-9-15-3-4-16-12/h3-5,7,9-10,18H,6,8H2,1-2H3.
What are the key properties of 1,2-dimethyl-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide?
1,2-dimethyl-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide has a molecular weight of 347.40 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 122243783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).