N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]ethanesulfonamide

C11H14N4O2S — CID 64584172

IUPACN-[2-(2-methylimidazol-1-yl)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccnc1-n1ccnc1C
InChIInChI=1S/C11H14N4O2S/c1-3-18(16,17)14-10-5-4-6-13-11(10)15-8-7-12-9(15)2/h4-8,14H,3H2,1-2H3
InChIKeySNHUUOYBNXSTIL-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.34
Rot. Bonds4

About N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]ethanesulfonamide

N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]ethanesulfonamide (PubChem CID 64584172) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methylimidazol-1-yl)-3-pyridinyl]ethanesulfonamide
PubChem CID64584172
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-[2-(2-methylimidazol-1-yl)-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccnc1-n1ccnc1C
InChIInChI=1S/C11H14N4O2S/c1-3-18(16,17)14-10-5-4-6-13-11(10)15-8-7-12-9(15)2/h4-8,14H,3H2,1-2H3
InChIKeySNHUUOYBNXSTIL-UHFFFAOYSA-N
XLogP1.34
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]ethanesulfonamide (CID 64584172) is N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccnc1-n1ccnc1C.
What is the InChIKey of N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]ethanesulfonamide?
The InChIKey is SNHUUOYBNXSTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-3-18(16,17)14-10-5-4-6-13-11(10)15-8-7-12-9(15)2/h4-8,14H,3H2,1-2H3.
What are the key properties of N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]ethanesulfonamide?
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]ethanesulfonamide has a molecular weight of 266.33 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 64584172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).