1-(1H-imidazol-5-yl)-2-phenylethanesulfonamide

C11H13N3O2S — CID 126519994

IUPAC1-(1H-imidazol-5-yl)-2-phenylethanesulfonamide
SMILESNS(=O)(=O)C(Cc1ccccc1)c1cnc[nH]1
InChIInChI=1S/C11H13N3O2S/c12-17(15,16)11(10-7-13-8-14-10)6-9-4-2-1-3-5-9/h1-5,7-8,11H,6H2,(H,13,14)(H2,12,15,16)
InChIKeyFGQPSFWFDAEILF-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.98
Rot. Bonds4

About 1-(1H-imidazol-5-yl)-2-phenylethanesulfonamide

1-(1H-imidazol-5-yl)-2-phenylethanesulfonamide (PubChem CID 126519994) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-2-phenylethanesulfonamide.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-2-phenylethanesulfonamide
PubChem CID126519994
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name1-(1H-imidazol-5-yl)-2-phenylethanesulfonamide
SMILESNS(=O)(=O)C(Cc1ccccc1)c1cnc[nH]1
InChIInChI=1S/C11H13N3O2S/c12-17(15,16)11(10-7-13-8-14-10)6-9-4-2-1-3-5-9/h1-5,7-8,11H,6H2,(H,13,14)(H2,12,15,16)
InChIKeyFGQPSFWFDAEILF-UHFFFAOYSA-N
XLogP0.98
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1,2-diphenylethanesulfonamide
CID 15655609
2-phenyl-1-thieno[3,2-d]pyrimidin-7-ylethanesulfonamide
CID 175768630
1,3-diphenylpropane-2-sulfonamide
CID 62084735
5-(2,3-diphenylpropyl)-1H-imidazole
CID 10491736
[4-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]phenyl]methanamine
CID 22450054
2-phenylethyl 2-(1H-imidazol-5-yl)propanoate
CID 70010888
[3-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]phenyl]methanamine
CID 22450046
N-benzyl-1-(1H-imidazol-5-yl)-1-phenylmethanamine
CID 164896206
benzyl N-[(1S)-1-(1H-imidazol-5-yl)ethyl]carbamate
CID 102036199
3-phenyl-2-sulfamoylpropanoic acid
CID 70062822
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid);(2S)-2-aminopropanoic acid
CID 18657563
(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoic acid;dihydrate
CID 175739992

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-2-phenylethanesulfonamide?
The IUPAC name of 1-(1H-imidazol-5-yl)-2-phenylethanesulfonamide (CID 126519994) is 1-(1H-imidazol-5-yl)-2-phenylethanesulfonamide.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-2-phenylethanesulfonamide?
The canonical SMILES for 1-(1H-imidazol-5-yl)-2-phenylethanesulfonamide is NS(=O)(=O)C(Cc1ccccc1)c1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-2-phenylethanesulfonamide?
The InChIKey is FGQPSFWFDAEILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c12-17(15,16)11(10-7-13-8-14-10)6-9-4-2-1-3-5-9/h1-5,7-8,11H,6H2,(H,13,14)(H2,12,15,16).
What are the key properties of 1-(1H-imidazol-5-yl)-2-phenylethanesulfonamide?
1-(1H-imidazol-5-yl)-2-phenylethanesulfonamide has a molecular weight of 251.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-2-phenylethanesulfonamide is sourced from PubChem (CID 126519994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).