methyl N-[(5-amino-2-fluorophenyl)sulfamoyl]carbamate

C8H10FN3O4S — CID 114461484

IUPACmethyl N-[(5-amino-2-fluorophenyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C8H10FN3O4S/c1-16-8(13)12-17(14,15)11-7-4-5(10)2-3-6(7)9/h2-4,11H,10H2,1H3,(H,12,13)
InChIKeyLIQFUZBPJVTBIF-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.42
Rot. Bonds3

About methyl N-[(5-amino-2-fluorophenyl)sulfamoyl]carbamate

methyl N-[(5-amino-2-fluorophenyl)sulfamoyl]carbamate (PubChem CID 114461484) has the molecular formula C8H10FN3O4S and a molecular weight of 263.25 g/mol. Its IUPAC name is methyl N-[(5-amino-2-fluorophenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(5-amino-2-fluorophenyl)sulfamoyl]carbamate
PubChem CID114461484
Molecular FormulaC8H10FN3O4S
Molecular Weight263.25 g/mol
Exact Mass263.04
IUPAC Namemethyl N-[(5-amino-2-fluorophenyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C8H10FN3O4S/c1-16-8(13)12-17(14,15)11-7-4-5(10)2-3-6(7)9/h2-4,11H,10H2,1H3,(H,12,13)
InChIKeyLIQFUZBPJVTBIF-UHFFFAOYSA-N
XLogP0.42
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-fluorophenyl)-1,1,1-trifluoromethanesulfonamide
CID 43604958
methyl N-[(3-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate
CID 114463601
propan-2-yl N-[(4-amino-2-methoxyphenyl)sulfamoyl]carbamate
CID 114461500
methyl 3-[(5-amino-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylate
CID 43604954
N-(5-amino-2-fluorophenyl)-3-(3-methoxypropylsulfonyl)propanamide
CID 63857581
tert-butyl N-[(4-amino-2-fluorophenyl)methylsulfamoyl]carbamate
CID 86680228
N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43604964
methyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate
CID 114465998
N-(5-amino-2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401139
methyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate
CID 110193413
(E)-3-[2-fluoro-5-(methoxycarbonylsulfamoylamino)phenyl]prop-2-enoic acid
CID 114466175
N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide
CID 16771732

Frequently Asked Questions

What is the IUPAC name of methyl N-[(5-amino-2-fluorophenyl)sulfamoyl]carbamate?
The IUPAC name of methyl N-[(5-amino-2-fluorophenyl)sulfamoyl]carbamate (CID 114461484) is methyl N-[(5-amino-2-fluorophenyl)sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[(5-amino-2-fluorophenyl)sulfamoyl]carbamate?
The canonical SMILES for methyl N-[(5-amino-2-fluorophenyl)sulfamoyl]carbamate is COC(=O)NS(=O)(=O)Nc1cc(N)ccc1F.
What is the InChIKey of methyl N-[(5-amino-2-fluorophenyl)sulfamoyl]carbamate?
The InChIKey is LIQFUZBPJVTBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O4S/c1-16-8(13)12-17(14,15)11-7-4-5(10)2-3-6(7)9/h2-4,11H,10H2,1H3,(H,12,13).
What are the key properties of methyl N-[(5-amino-2-fluorophenyl)sulfamoyl]carbamate?
methyl N-[(5-amino-2-fluorophenyl)sulfamoyl]carbamate has a molecular weight of 263.25 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(5-amino-2-fluorophenyl)sulfamoyl]carbamate is sourced from PubChem (CID 114461484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).