N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-imidazole-5-sulfonamide

C9H11N3O3S2 — CID 75505721

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(NCC(O)c1ccsc1)c1cnc[nH]1
InChIInChI=1S/C9H11N3O3S2/c13-8(7-1-2-16-5-7)3-12-17(14,15)9-4-10-6-11-9/h1-2,4-6,8,12-13H,3H2,(H,10,11)
InChIKeyWEEPUWCCMAGSQP-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.48
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-imidazole-5-sulfonamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-imidazole-5-sulfonamide (PubChem CID 75505721) has the molecular formula C9H11N3O3S2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-1H-imidazole-5-sulfonamide
PubChem CID75505721
Molecular FormulaC9H11N3O3S2
Molecular Weight273.34 g/mol
Exact Mass273.02
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(NCC(O)c1ccsc1)c1cnc[nH]1
InChIInChI=1S/C9H11N3O3S2/c13-8(7-1-2-16-5-7)3-12-17(14,15)9-4-10-6-11-9/h1-2,4-6,8,12-13H,3H2,(H,10,11)
InChIKeyWEEPUWCCMAGSQP-UHFFFAOYSA-N
XLogP0.48
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-imidazole-5-sulfonamide (CID 75505721) is N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-imidazole-5-sulfonamide is O=S(=O)(NCC(O)c1ccsc1)c1cnc[nH]1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-imidazole-5-sulfonamide?
The InChIKey is WEEPUWCCMAGSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S2/c13-8(7-1-2-16-5-7)3-12-17(14,15)9-4-10-6-11-9/h1-2,4-6,8,12-13H,3H2,(H,10,11).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-imidazole-5-sulfonamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-imidazole-5-sulfonamide has a molecular weight of 273.34 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 75505721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).