N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide

C13H13N5O2S2 — CID 122243762

IUPACN-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1ccnc1-c1cnccn1)c1cccs1
InChIInChI=1S/C13H13N5O2S2/c19-22(20,12-2-1-9-21-12)17-6-8-18-7-5-16-13(18)11-10-14-3-4-15-11/h1-5,7,9-10,17H,6,8H2
InChIKeyUYYXTCXBCUTMKB-UHFFFAOYSA-N
MW335.41 g/mol
LogP1.38
Rot. Bonds6

About N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide

N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 122243762) has the molecular formula C13H13N5O2S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID122243762
Molecular FormulaC13H13N5O2S2
Molecular Weight335.41 g/mol
Exact Mass335.05
IUPAC NameN-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1ccnc1-c1cnccn1)c1cccs1
InChIInChI=1S/C13H13N5O2S2/c19-22(20,12-2-1-9-21-12)17-6-8-18-7-5-16-13(18)11-10-14-3-4-15-11/h1-5,7,9-10,17H,6,8H2
InChIKeyUYYXTCXBCUTMKB-UHFFFAOYSA-N
XLogP1.38
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide (CID 122243762) is N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCn1ccnc1-c1cnccn1)c1cccs1.
What is the InChIKey of N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is UYYXTCXBCUTMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S2/c19-22(20,12-2-1-9-21-12)17-6-8-18-7-5-16-13(18)11-10-14-3-4-15-11/h1-5,7,9-10,17H,6,8H2.
What are the key properties of N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 335.41 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 122243762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).