2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide

C12H15N3O3S — CID 81242155

IUPAC2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cn1ccnc1)NS(=O)(=O)c1ccccc1O
InChIInChI=1S/C12H15N3O3S/c1-10(8-15-7-6-13-9-15)14-19(17,18)12-5-3-2-4-11(12)16/h2-7,9-10,14,16H,8H2,1H3
InChIKeyXAQWITXPDCTUDM-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.96
Rot. Bonds5

About 2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide

2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 81242155) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID81242155
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cn1ccnc1)NS(=O)(=O)c1ccccc1O
InChIInChI=1S/C12H15N3O3S/c1-10(8-15-7-6-13-9-15)14-19(17,18)12-5-3-2-4-11(12)16/h2-7,9-10,14,16H,8H2,1H3
InChIKeyXAQWITXPDCTUDM-UHFFFAOYSA-N
XLogP0.96
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)-2-(methylamino)benzenesulfonamide
CID 62152924
3-(1-imidazol-1-ylpropan-2-ylsulfamoyl)pyridine-2-carbothioamide
CID 106596888
1-[2-(sulfamoylamino)propyl]imidazole
CID 112686375
5-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479509
4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479552
2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479287
4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61480807
N-(1-imidazol-1-ylpropan-2-yl)-3-(methylamino)pyridine-2-sulfonamide
CID 103305515
2-anilino-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 60861260
2-(1-imidazol-1-ylpropan-2-ylamino)-N,N-dimethylbenzenesulfonamide
CID 61482270
2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide
CID 79589560
3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479595

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide (CID 81242155) is 2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide is CC(Cn1ccnc1)NS(=O)(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is XAQWITXPDCTUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-10(8-15-7-6-13-9-15)14-19(17,18)12-5-3-2-4-11(12)16/h2-7,9-10,14,16H,8H2,1H3.
What are the key properties of 2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide?
2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 81242155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).