3-fluoro-4-[(propylsulfamoylamino)methyl]benzenecarboximidamide

C11H17FN4O2S — CID 114813290

IUPAC3-fluoro-4-[(propylsulfamoylamino)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CNS(=O)(=O)NCCC)c(F)c1
InChIInChI=1S/C11H17FN4O2S/c1-2-5-15-19(17,18)16-7-9-4-3-8(11(13)14)6-10(9)12/h3-4,6,15-16H,2,5,7H2,1H3,(H3,13,14)
InChIKeyJJFLNDWXBQXWQG-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.44
Rot. Bonds7

About 3-fluoro-4-[(propylsulfamoylamino)methyl]benzenecarboximidamide

3-fluoro-4-[(propylsulfamoylamino)methyl]benzenecarboximidamide (PubChem CID 114813290) has the molecular formula C11H17FN4O2S and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-fluoro-4-[(propylsulfamoylamino)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-[(propylsulfamoylamino)methyl]benzenecarboximidamide
PubChem CID114813290
Molecular FormulaC11H17FN4O2S
Molecular Weight288.35 g/mol
Exact Mass288.11
IUPAC Name3-fluoro-4-[(propylsulfamoylamino)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CNS(=O)(=O)NCCC)c(F)c1
InChIInChI=1S/C11H17FN4O2S/c1-2-5-15-19(17,18)16-7-9-4-3-8(11(13)14)6-10(9)12/h3-4,6,15-16H,2,5,7H2,1H3,(H3,13,14)
InChIKeyJJFLNDWXBQXWQG-UHFFFAOYSA-N
XLogP0.44
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[(4-carbamimidoyl-2-fluorophenyl)methylsulfamoyl]carbamate
CID 114467365
3-fluoro-4-[(4-propylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 24709254
3-fluoro-N'-hydroxy-4-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide
CID 114816593
3-fluoro-4-[(2-methylpropylsulfamoylamino)methyl]benzenecarbothioamide
CID 114815290
3-fluoro-N'-hydroxy-4-[(2-methylpropylsulfamoylamino)methyl]benzenecarboximidamide
CID 114816592
3-[(2-methoxyethylsulfamoylamino)methyl]benzenecarboximidamide
CID 114816930
3-fluoro-4-[[methyl(pentan-2-yl)amino]methyl]benzenecarboximidamide
CID 43572176
N-[[4-carbamimidoyl-2-[2-(methanesulfonamido)ethoxy]phenyl]methyl]-4-fluoro-3-methylbenzamide
CID 11662561
3-fluoro-4-(propan-2-ylsulfanylmethyl)benzenecarboximidamide
CID 60885148
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-3-fluorobenzenecarboximidamide
CID 79188251
3-fluoro-4-[[methyl(pentan-3-yl)amino]methyl]benzenecarboximidamide
CID 43571163
3-fluoro-4-(imidazol-1-ylmethyl)benzenecarboximidamide
CID 24691944

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(propylsulfamoylamino)methyl]benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-[(propylsulfamoylamino)methyl]benzenecarboximidamide (CID 114813290) is 3-fluoro-4-[(propylsulfamoylamino)methyl]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-[(propylsulfamoylamino)methyl]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-[(propylsulfamoylamino)methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CNS(=O)(=O)NCCC)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(propylsulfamoylamino)methyl]benzenecarboximidamide?
The InChIKey is JJFLNDWXBQXWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O2S/c1-2-5-15-19(17,18)16-7-9-4-3-8(11(13)14)6-10(9)12/h3-4,6,15-16H,2,5,7H2,1H3,(H3,13,14).
What are the key properties of 3-fluoro-4-[(propylsulfamoylamino)methyl]benzenecarboximidamide?
3-fluoro-4-[(propylsulfamoylamino)methyl]benzenecarboximidamide has a molecular weight of 288.35 g/mol, XLogP of 0.44, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(propylsulfamoylamino)methyl]benzenecarboximidamide is sourced from PubChem (CID 114813290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).