5-bromo-N-(2-hydroxy-3-phenylpropyl)-1,2-dimethylimidazole-4-sulfonamide

C14H18BrN3O3S — CID 167913458

IUPAC5-bromo-N-(2-hydroxy-3-phenylpropyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCC(O)Cc2ccccc2)c(Br)n1C
InChIInChI=1S/C14H18BrN3O3S/c1-10-17-14(13(15)18(10)2)22(20,21)16-9-12(19)8-11-6-4-3-5-7-11/h3-7,12,16,19H,8-9H2,1-2H3
InChIKeyDSGZQBMYCGQMNN-UHFFFAOYSA-N
MW388.29 g/mol
LogP1.37
Rot. Bonds6

About 5-bromo-N-(2-hydroxy-3-phenylpropyl)-1,2-dimethylimidazole-4-sulfonamide

5-bromo-N-(2-hydroxy-3-phenylpropyl)-1,2-dimethylimidazole-4-sulfonamide (PubChem CID 167913458) has the molecular formula C14H18BrN3O3S and a molecular weight of 388.29 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxy-3-phenylpropyl)-1,2-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxy-3-phenylpropyl)-1,2-dimethylimidazole-4-sulfonamide
PubChem CID167913458
Molecular FormulaC14H18BrN3O3S
Molecular Weight388.29 g/mol
Exact Mass387.03
IUPAC Name5-bromo-N-(2-hydroxy-3-phenylpropyl)-1,2-dimethylimidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCC(O)Cc2ccccc2)c(Br)n1C
InChIInChI=1S/C14H18BrN3O3S/c1-10-17-14(13(15)18(10)2)22(20,21)16-9-12(19)8-11-6-4-3-5-7-11/h3-7,12,16,19H,8-9H2,1-2H3
InChIKeyDSGZQBMYCGQMNN-UHFFFAOYSA-N
XLogP1.37
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-sulfonamide
CID 71911354
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CID 97239288
5-ethyl-N-(2-hydroxy-3-phenylpropyl)thiophene-2-sulfonamide
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N-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide
CID 111439961
(2S)-1-(4-methylphenyl)sulfonyl-3-phenylpropan-2-ol
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1-[(4-methylsulfonylphenyl)methylamino]-3-phenylpropan-2-ol
CID 23060817
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
1-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide
CID 110018886
1-[(6-methyl-2-pyridinyl)amino]-3-phenylpropan-2-ol
CID 133482915
5-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-1-methylimidazole-4-sulfonamide
CID 134035705
(3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide
CID 100879746
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxy-3-phenylpropyl)-1,2-dimethylimidazole-4-sulfonamide?
The IUPAC name of 5-bromo-N-(2-hydroxy-3-phenylpropyl)-1,2-dimethylimidazole-4-sulfonamide (CID 167913458) is 5-bromo-N-(2-hydroxy-3-phenylpropyl)-1,2-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxy-3-phenylpropyl)-1,2-dimethylimidazole-4-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-hydroxy-3-phenylpropyl)-1,2-dimethylimidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NCC(O)Cc2ccccc2)c(Br)n1C.
What is the InChIKey of 5-bromo-N-(2-hydroxy-3-phenylpropyl)-1,2-dimethylimidazole-4-sulfonamide?
The InChIKey is DSGZQBMYCGQMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3S/c1-10-17-14(13(15)18(10)2)22(20,21)16-9-12(19)8-11-6-4-3-5-7-11/h3-7,12,16,19H,8-9H2,1-2H3.
What are the key properties of 5-bromo-N-(2-hydroxy-3-phenylpropyl)-1,2-dimethylimidazole-4-sulfonamide?
5-bromo-N-(2-hydroxy-3-phenylpropyl)-1,2-dimethylimidazole-4-sulfonamide has a molecular weight of 388.29 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxy-3-phenylpropyl)-1,2-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 167913458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).