3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide

C12H15FN4O2S — CID 61479595

IUPAC3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cn1ccnc1)NS(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C12H15FN4O2S/c1-9(7-17-5-4-15-8-17)16-20(18,19)10-2-3-11(13)12(14)6-10/h2-6,8-9,16H,7,14H2,1H3
InChIKeyAZIWJVMUNXESKA-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.97
Rot. Bonds5

About 3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide

3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 61479595) has the molecular formula C12H15FN4O2S and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID61479595
Molecular FormulaC12H15FN4O2S
Molecular Weight298.34 g/mol
Exact Mass298.09
IUPAC Name3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cn1ccnc1)NS(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C12H15FN4O2S/c1-9(7-17-5-4-15-8-17)16-20(18,19)10-2-3-11(13)12(14)6-10/h2-6,8-9,16H,7,14H2,1H3
InChIKeyAZIWJVMUNXESKA-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

4-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-methoxybenzenesulfonamide
CID 81440827
3-amino-5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 63322492
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
4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479552
3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 61479380
N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 61480854
3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61459524
3-amino-4-(1-imidazol-1-ylpropan-2-ylamino)benzenesulfonamide
CID 61479680
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide (CID 61479595) is 3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide is CC(Cn1ccnc1)NS(=O)(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is AZIWJVMUNXESKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2S/c1-9(7-17-5-4-15-8-17)16-20(18,19)10-2-3-11(13)12(14)6-10/h2-6,8-9,16H,7,14H2,1H3.
What are the key properties of 3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide?
3-amino-4-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-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61479595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).