N-[1-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylimidazole-4-sulfonamide

C12H17N3O4S — CID 109379608

IUPACN-[1-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NC(CO)c2ccco2)c1
InChIInChI=1S/C12H17N3O4S/c1-9(2)15-6-12(13-8-15)20(17,18)14-10(7-16)11-4-3-5-19-11/h3-6,8-10,14,16H,7H2,1-2H3
InChIKeyVOMKUDCAXLPDQB-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.07
Rot. Bonds6

About N-[1-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylimidazole-4-sulfonamide

N-[1-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylimidazole-4-sulfonamide (PubChem CID 109379608) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylimidazole-4-sulfonamide
PubChem CID109379608
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC NameN-[1-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylimidazole-4-sulfonamide
SMILESCC(C)n1cnc(S(=O)(=O)NC(CO)c2ccco2)c1
InChIInChI=1S/C12H17N3O4S/c1-9(2)15-6-12(13-8-15)20(17,18)14-10(7-16)11-4-3-5-19-11/h3-6,8-10,14,16H,7H2,1-2H3
InChIKeyVOMKUDCAXLPDQB-UHFFFAOYSA-N
XLogP1.07
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 100689543
2-[(1-propan-2-ylimidazol-4-yl)sulfonylamino]-3-pyrimidin-2-ylpropanoic acid
CID 167937744
N-(2-cyclopentyl-2-hydroxyethyl)-1-propan-2-ylimidazole-4-sulfonamide
CID 109379589
N-(2-methylsulfonyl-4-pyridinyl)-1-propan-2-ylimidazole-4-sulfonamide
CID 126831250
(2S)-2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-2-(furan-2-yl)ethanol
CID 97224225
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylimidazole-4-sulfonamide
CID 79256266
N-[(2S)-2-methyl-3-methylsulfanylpropyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 97326472
N-(furan-2-ylmethyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085733
N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 100751661
N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 99696816
1-propan-2-yl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)imidazole-4-sulfonamide
CID 86803082
N-[1-(furan-2-yl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 15174185

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylimidazole-4-sulfonamide?
The IUPAC name of N-[1-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylimidazole-4-sulfonamide (CID 109379608) is N-[1-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylimidazole-4-sulfonamide.
What is the SMILES notation for N-[1-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylimidazole-4-sulfonamide?
The canonical SMILES for N-[1-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylimidazole-4-sulfonamide is CC(C)n1cnc(S(=O)(=O)NC(CO)c2ccco2)c1.
What is the InChIKey of N-[1-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylimidazole-4-sulfonamide?
The InChIKey is VOMKUDCAXLPDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-9(2)15-6-12(13-8-15)20(17,18)14-10(7-16)11-4-3-5-19-11/h3-6,8-10,14,16H,7H2,1-2H3.
What are the key properties of N-[1-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylimidazole-4-sulfonamide?
N-[1-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylimidazole-4-sulfonamide has a molecular weight of 299.35 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)-2-hydroxyethyl]-1-propan-2-ylimidazole-4-sulfonamide is sourced from PubChem (CID 109379608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).