benzyl N-[(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-methylsulfamoyl]carbamate

C18H19FN2O5S — CID 165409866

IUPACbenzyl N-[(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-methylsulfamoyl]carbamate
SMILESCN(C1CCOc2cc(F)ccc21)S(=O)(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H19FN2O5S/c1-21(16-9-10-25-17-11-14(19)7-8-15(16)17)27(23,24)20-18(22)26-12-13-5-3-2-4-6-13/h2-8,11,16H,9-10,12H2,1H3,(H,20,22)
InChIKeyUXKOJANHOSWXSQ-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.75
Rot. Bonds5

About benzyl N-[(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-methylsulfamoyl]carbamate

benzyl N-[(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-methylsulfamoyl]carbamate (PubChem CID 165409866) has the molecular formula C18H19FN2O5S and a molecular weight of 394.42 g/mol. Its IUPAC name is benzyl N-[(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-methylsulfamoyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-methylsulfamoyl]carbamate
PubChem CID165409866
Molecular FormulaC18H19FN2O5S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Namebenzyl N-[(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-methylsulfamoyl]carbamate
SMILESCN(C1CCOc2cc(F)ccc21)S(=O)(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H19FN2O5S/c1-21(16-9-10-25-17-11-14(19)7-8-15(16)17)27(23,24)20-18(22)26-12-13-5-3-2-4-6-13/h2-8,11,16H,9-10,12H2,1H3,(H,20,22)
InChIKeyUXKOJANHOSWXSQ-UHFFFAOYSA-N
XLogP2.75
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-7-fluoro-4-[methyl(sulfamoyl)amino]-3,4-dihydro-2H-chromene
CID 165409943
benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 110751299
tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 144863293
benzyl N-cyclohexylsulfonylcarbamate
CID 122231428
benzyl N-(4,6-difluoro-2,3-dihydro-1-benzofuran-3-yl)carbamate
CID 172615311
benzyl N-(2-oxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-6-yl)carbamate
CID 165145770
benzyl N-[(3S)-1-acetyl-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]carbamate
CID 170249315
benzyl N-[(4-methylcyclohexyl)sulfamoyl]carbamate
CID 86617683
benzyl N-(methylamino)carbamate;hydrochloride
CID 24801390
benzyl N-[3-(4-fluoro-2-methylanilino)cyclobutyl]carbamate
CID 103392833
benzyl N-[3-[(3-fluorophenyl)methylamino]cyclobutyl]carbamate
CID 103392944
benzyl N-[(1R,2S)-1-(2,5-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 118298662

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-methylsulfamoyl]carbamate?
The IUPAC name of benzyl N-[(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-methylsulfamoyl]carbamate (CID 165409866) is benzyl N-[(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-methylsulfamoyl]carbamate.
What is the SMILES notation for benzyl N-[(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-methylsulfamoyl]carbamate?
The canonical SMILES for benzyl N-[(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-methylsulfamoyl]carbamate is CN(C1CCOc2cc(F)ccc21)S(=O)(=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-methylsulfamoyl]carbamate?
The InChIKey is UXKOJANHOSWXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5S/c1-21(16-9-10-25-17-11-14(19)7-8-15(16)17)27(23,24)20-18(22)26-12-13-5-3-2-4-6-13/h2-8,11,16H,9-10,12H2,1H3,(H,20,22).
What are the key properties of benzyl N-[(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-methylsulfamoyl]carbamate?
benzyl N-[(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-methylsulfamoyl]carbamate has a molecular weight of 394.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(7-fluoro-3,4-dihydro-2H-chromen-4-yl)-methylsulfamoyl]carbamate is sourced from PubChem (CID 165409866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).