3-amino-5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide

C12H15FN4O2S — CID 63322492

IUPAC3-amino-5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cn1ccnc1)NS(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C12H15FN4O2S/c1-9(7-17-3-2-15-8-17)16-20(18,19)12-5-10(13)4-11(14)6-12/h2-6,8-9,16H,7,14H2,1H3
InChIKeyGYUIJINRXRZDJM-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.97
Rot. Bonds5

About 3-amino-5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide

3-amino-5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 63322492) has the molecular formula C12H15FN4O2S and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID63322492
Molecular FormulaC12H15FN4O2S
Molecular Weight298.34 g/mol
Exact Mass298.09
IUPAC Name3-amino-5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cn1ccnc1)NS(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C12H15FN4O2S/c1-9(7-17-3-2-15-8-17)16-20(18,19)12-5-10(13)4-11(14)6-12/h2-6,8-9,16H,7,14H2,1H3
InChIKeyGYUIJINRXRZDJM-UHFFFAOYSA-N
XLogP0.97
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 63322842
3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479595
4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479552
3-amino-5-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzenesulfonamide
CID 63322579
4-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-methoxybenzenesulfonamide
CID 81440827
4-(1-aminoethyl)-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61480807
2-amino-4-bromo-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479287
5-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479509
1-[2-(sulfamoylamino)propyl]imidazole
CID 112686375
5-(aminomethyl)-1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009824
3-fluoro-5-(3-imidazol-1-ylpropylsulfonyl)aniline
CID 81183113
4-(1-imidazol-1-ylpropan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 61355869

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide (CID 63322492) is 3-amino-5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide is CC(Cn1ccnc1)NS(=O)(=O)c1cc(N)cc(F)c1.
What is the InChIKey of 3-amino-5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is GYUIJINRXRZDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2S/c1-9(7-17-3-2-15-8-17)16-20(18,19)12-5-10(13)4-11(14)6-12/h2-6,8-9,16H,7,14H2,1H3.
What are the key properties of 3-amino-5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide?
3-amino-5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 298.34 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 63322492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).