propan-2-yl N-[(4-carbamimidoyl-2-fluorophenyl)sulfamoyl]carbamate

C11H15FN4O4S — CID 114467559

IUPACpropan-2-yl N-[(4-carbamimidoyl-2-fluorophenyl)sulfamoyl]carbamate
SMILES[H]/N=C(\N)c1ccc(NS(=O)(=O)NC(=O)OC(C)C)c(F)c1
InChIInChI=1S/C11H15FN4O4S/c1-6(2)20-11(17)16-21(18,19)15-9-4-3-7(10(13)14)5-8(9)12/h3-6,15H,1-2H3,(H3,13,14)(H,16,17)
InChIKeyYBZQPZYRMDXXGH-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.90
Rot. Bonds5

About propan-2-yl N-[(4-carbamimidoyl-2-fluorophenyl)sulfamoyl]carbamate

propan-2-yl N-[(4-carbamimidoyl-2-fluorophenyl)sulfamoyl]carbamate (PubChem CID 114467559) has the molecular formula C11H15FN4O4S and a molecular weight of 318.33 g/mol. Its IUPAC name is propan-2-yl N-[(4-carbamimidoyl-2-fluorophenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(4-carbamimidoyl-2-fluorophenyl)sulfamoyl]carbamate
PubChem CID114467559
Molecular FormulaC11H15FN4O4S
Molecular Weight318.33 g/mol
Exact Mass318.08
IUPAC Namepropan-2-yl N-[(4-carbamimidoyl-2-fluorophenyl)sulfamoyl]carbamate
SMILES[H]/N=C(\N)c1ccc(NS(=O)(=O)NC(=O)OC(C)C)c(F)c1
InChIInChI=1S/C11H15FN4O4S/c1-6(2)20-11(17)16-21(18,19)15-9-4-3-7(10(13)14)5-8(9)12/h3-6,15H,1-2H3,(H3,13,14)(H,16,17)
InChIKeyYBZQPZYRMDXXGH-UHFFFAOYSA-N
XLogP0.90
TPSA134.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

propan-2-yl N-[(3-carbamimidoylphenyl)sulfamoyl]carbamate
CID 114467292
4-(cyclopropylsulfamoylamino)-3-fluorobenzenecarboximidamide
CID 114813590
propan-2-yl N-[(2-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate
CID 114463692
2-(4-carbamimidoyl-2-fluoroanilino)propanoic acid
CID 82253274
ethyl N-[(4-carbamimidoyl-2-fluorophenyl)methylsulfamoyl]carbamate
CID 114467365
propan-2-yl N-[[2-(aminomethyl)-3-fluorophenyl]sulfamoyl]carbamate
CID 114461222
ethyl N-[(2-carbamimidoyl-3-fluorophenyl)sulfamoyl]carbamate
CID 114467334
4-(propan-2-yloxycarbonylsulfamoylamino)benzoic acid
CID 114461975
propan-2-yl N-[(4-amino-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 103144752
propan-2-yl N-[(4-hydroxy-2,5-dimethylphenyl)sulfamoyl]carbamate
CID 106954584
3-(4-carbamimidoyl-2-fluoroanilino)propanoic acid;hydrochloride
CID 82253267
methyl 3-(propan-2-yloxycarbonylsulfamoylamino)benzoate
CID 114465381

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(4-carbamimidoyl-2-fluorophenyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(4-carbamimidoyl-2-fluorophenyl)sulfamoyl]carbamate (CID 114467559) is propan-2-yl N-[(4-carbamimidoyl-2-fluorophenyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(4-carbamimidoyl-2-fluorophenyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(4-carbamimidoyl-2-fluorophenyl)sulfamoyl]carbamate is [H]/N=C(\N)c1ccc(NS(=O)(=O)NC(=O)OC(C)C)c(F)c1.
What is the InChIKey of propan-2-yl N-[(4-carbamimidoyl-2-fluorophenyl)sulfamoyl]carbamate?
The InChIKey is YBZQPZYRMDXXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O4S/c1-6(2)20-11(17)16-21(18,19)15-9-4-3-7(10(13)14)5-8(9)12/h3-6,15H,1-2H3,(H3,13,14)(H,16,17).
What are the key properties of propan-2-yl N-[(4-carbamimidoyl-2-fluorophenyl)sulfamoyl]carbamate?
propan-2-yl N-[(4-carbamimidoyl-2-fluorophenyl)sulfamoyl]carbamate has a molecular weight of 318.33 g/mol, XLogP of 0.90, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(4-carbamimidoyl-2-fluorophenyl)sulfamoyl]carbamate is sourced from PubChem (CID 114467559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).