N-[(1S)-1-(3-hydroxyphenyl)ethyl]-N-methyl-1H-imidazole-5-sulfonamide

C12H15N3O3S — CID 97239326

IUPACN-[(1S)-1-(3-hydroxyphenyl)ethyl]-N-methyl-1H-imidazole-5-sulfonamide
SMILESC[C@@H](c1cccc(O)c1)N(C)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C12H15N3O3S/c1-9(10-4-3-5-11(16)6-10)15(2)19(17,18)12-7-13-8-14-12/h3-9,16H,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyZVIZHBHWTGZGFZ-VIFPVBQESA-N
MW281.34 g/mol
LogP1.50
Rot. Bonds4

About N-[(1S)-1-(3-hydroxyphenyl)ethyl]-N-methyl-1H-imidazole-5-sulfonamide

N-[(1S)-1-(3-hydroxyphenyl)ethyl]-N-methyl-1H-imidazole-5-sulfonamide (PubChem CID 97239326) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-[(1S)-1-(3-hydroxyphenyl)ethyl]-N-methyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-hydroxyphenyl)ethyl]-N-methyl-1H-imidazole-5-sulfonamide
PubChem CID97239326
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-[(1S)-1-(3-hydroxyphenyl)ethyl]-N-methyl-1H-imidazole-5-sulfonamide
SMILESC[C@@H](c1cccc(O)c1)N(C)S(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C12H15N3O3S/c1-9(10-4-3-5-11(16)6-10)15(2)19(17,18)12-7-13-8-14-12/h3-9,16H,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyZVIZHBHWTGZGFZ-VIFPVBQESA-N
XLogP1.50
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-bromopropan-2-yl)-N-methyl-1H-imidazole-5-sulfonamide
CID 104556364
3-[(1R)-1-(dimethylamino)ethyl]phenol
CID 10313270
3-[(1R)-1-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]-methylamino]ethyl]phenol
CID 98852377
3-[(1S)-1-[[[(1R)-1-cyclopropylethyl]-methylsulfamoyl]-methylamino]ethyl]phenol
CID 98852376
N-ethyl-N-[(1S)-1-(3-hydroxyphenyl)ethyl]pyridine-3-sulfonamide
CID 97099113
3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol
CID 62761945
(E)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide
CID 166182918
3-(1-hydroxyethyl)phenol;methanesulfonic acid
CID 174877430
3-[1-(dimethylamino)propan-2-yl]phenol
CID 3029890
N-(2-amino-5-chlorophenyl)-N-methyl-1H-imidazole-5-sulfonamide
CID 107465863
1H-imidazol-5-ylsulfonyl(phenyl)carbamic acid
CID 54530501
3-[ethyl-[1-(3-hydroxyphenyl)ethyl]sulfamoyl]propanoic acid
CID 60950620

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-hydroxyphenyl)ethyl]-N-methyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[(1S)-1-(3-hydroxyphenyl)ethyl]-N-methyl-1H-imidazole-5-sulfonamide (CID 97239326) is N-[(1S)-1-(3-hydroxyphenyl)ethyl]-N-methyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[(1S)-1-(3-hydroxyphenyl)ethyl]-N-methyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[(1S)-1-(3-hydroxyphenyl)ethyl]-N-methyl-1H-imidazole-5-sulfonamide is C[C@@H](c1cccc(O)c1)N(C)S(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-[(1S)-1-(3-hydroxyphenyl)ethyl]-N-methyl-1H-imidazole-5-sulfonamide?
The InChIKey is ZVIZHBHWTGZGFZ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-9(10-4-3-5-11(16)6-10)15(2)19(17,18)12-7-13-8-14-12/h3-9,16H,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(3-hydroxyphenyl)ethyl]-N-methyl-1H-imidazole-5-sulfonamide?
N-[(1S)-1-(3-hydroxyphenyl)ethyl]-N-methyl-1H-imidazole-5-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-hydroxyphenyl)ethyl]-N-methyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 97239326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).