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

C14H14N4O2S2 — CID 86266161

IUPACN-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1ccnc1-c1ccccn1)c1cccs1
InChIInChI=1S/C14H14N4O2S2/c19-22(20,13-5-3-11-21-13)17-8-10-18-9-7-16-14(18)12-4-1-2-6-15-12/h1-7,9,11,17H,8,10H2
InChIKeyPRBQQGIAUODBKM-UHFFFAOYSA-N
MW334.43 g/mol
LogP1.99
Rot. Bonds6

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

N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 86266161) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID86266161
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC NameN-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCn1ccnc1-c1ccccn1)c1cccs1
InChIInChI=1S/C14H14N4O2S2/c19-22(20,13-5-3-11-21-13)17-8-10-18-9-7-16-14(18)12-4-1-2-6-15-12/h1-7,9,11,17H,8,10H2
InChIKeyPRBQQGIAUODBKM-UHFFFAOYSA-N
XLogP1.99
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide (CID 86266161) is N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCn1ccnc1-c1ccccn1)c1cccs1.
What is the InChIKey of N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is PRBQQGIAUODBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c19-22(20,13-5-3-11-21-13)17-8-10-18-9-7-16-14(18)12-4-1-2-6-15-12/h1-7,9,11,17H,8,10H2.
What are the key properties of N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 334.43 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 86266161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).