N-(4-fluoro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide

C13H16FN3O3S — CID 63676566

IUPACN-(4-fluoro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2ccc(F)cc2O)nc1C
InChIInChI=1S/C13H16FN3O3S/c1-3-6-17-8-13(15-9(17)2)21(19,20)16-11-5-4-10(14)7-12(11)18/h4-5,7-8,16,18H,3,6H2,1-2H3
InChIKeyAHBZWHXRLBOBJL-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.25
Rot. Bonds5

About N-(4-fluoro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide

N-(4-fluoro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide (PubChem CID 63676566) has the molecular formula C13H16FN3O3S and a molecular weight of 313.35 g/mol. Its IUPAC name is N-(4-fluoro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
PubChem CID63676566
Molecular FormulaC13H16FN3O3S
Molecular Weight313.35 g/mol
Exact Mass313.09
IUPAC NameN-(4-fluoro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2ccc(F)cc2O)nc1C
InChIInChI=1S/C13H16FN3O3S/c1-3-6-17-8-13(15-9(17)2)21(19,20)16-11-5-4-10(14)7-12(11)18/h4-5,7-8,16,18H,3,6H2,1-2H3
InChIKeyAHBZWHXRLBOBJL-UHFFFAOYSA-N
XLogP2.25
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62066439
N-(4-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62066063
N-(3-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62066248
N-(3-amino-4-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 63062952
2-methyl-N-(2-methylpropyl)-1-propylimidazole-4-sulfonamide
CID 64592125
N-(5-iodo-2-pyridinyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 65098956
2-[(2-methyl-1-propylimidazol-4-yl)sulfonylamino]propanoic acid
CID 62062312
N-(4-fluoro-2-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 63676567
N-[(2S)-1-hydroxybutan-2-yl]-2-methyl-1-propylimidazole-4-sulfonamide
CID 104981934
N-(4-bromo-2-ethylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 81288025
N-(6-chloropyrazin-2-yl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 104821178
N-(2-bromoethyl)-2-methyl-1-propylimidazole-4-sulfonamide
CID 62064291

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The IUPAC name of N-(4-fluoro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide (CID 63676566) is N-(4-fluoro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-fluoro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-fluoro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide is CCCn1cc(S(=O)(=O)Nc2ccc(F)cc2O)nc1C.
What is the InChIKey of N-(4-fluoro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide?
The InChIKey is AHBZWHXRLBOBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3S/c1-3-6-17-8-13(15-9(17)2)21(19,20)16-11-5-4-10(14)7-12(11)18/h4-5,7-8,16,18H,3,6H2,1-2H3.
What are the key properties of N-(4-fluoro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide?
N-(4-fluoro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide has a molecular weight of 313.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-hydroxyphenyl)-2-methyl-1-propylimidazole-4-sulfonamide is sourced from PubChem (CID 63676566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).