[5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-2-fluorophenyl] carbamate

C19H23FN2O4S — CID 174868031

IUPAC[5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-2-fluorophenyl] carbamate
SMILESCCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(F)c(OC(N)=O)c2)cc1
InChIInChI=1S/C19H23FN2O4S/c1-4-14-5-7-15(8-6-14)22(12-13(2)3)27(24,25)16-9-10-17(20)18(11-16)26-19(21)23/h5-11,13H,4,12H2,1-3H3,(H2,21,23)
InChIKeyJOEVYDWRAZOSPH-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.70
Rot. Bonds7

About [5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-2-fluorophenyl] carbamate

[5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-2-fluorophenyl] carbamate (PubChem CID 174868031) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is [5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-2-fluorophenyl] carbamate.

Molecular Properties

Compound Name[5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-2-fluorophenyl] carbamate
PubChem CID174868031
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Name[5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-2-fluorophenyl] carbamate
SMILESCCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(F)c(OC(N)=O)c2)cc1
InChIInChI=1S/C19H23FN2O4S/c1-4-14-5-7-15(8-6-14)22(12-13(2)3)27(24,25)16-9-10-17(20)18(11-16)26-19(21)23/h5-11,13H,4,12H2,1-3H3,(H2,21,23)
InChIKeyJOEVYDWRAZOSPH-UHFFFAOYSA-N
XLogP3.70
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]benzoic acid
CID 86731598
ethyl 2-[5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-2-nitrophenyl]sulfanylacetate
CID 121429504
4-bromo-N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)benzenesulfonamide
CID 121414093
3-bromo-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-5-sulfonamide
CID 121421626
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-piperidin-4-yloxybenzenesulfonamide
CID 121414157
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-(pyridin-4-ylmethoxy)benzenesulfonamide
CID 121414161
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-(3-oxabicyclo[3.1.0]hexan-6-ylmethoxy)benzenesulfonamide
CID 121414086
N-(4-ethylphenyl)-4-hydroxy-1-[(3-hydroxycyclobutyl)methyl]-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 121420902
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide
CID 121429520
N-(4-ethylphenyl)-N-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-2,3-dihydroindazole-5-sulfonamide
CID 121421644
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-(piperidin-4-ylmethoxy)benzenesulfonamide
CID 134607306
methyl 5-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoate
CID 126480845

Frequently Asked Questions

What is the IUPAC name of [5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-2-fluorophenyl] carbamate?
The IUPAC name of [5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-2-fluorophenyl] carbamate (CID 174868031) is [5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-2-fluorophenyl] carbamate.
What is the SMILES notation for [5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-2-fluorophenyl] carbamate?
The canonical SMILES for [5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-2-fluorophenyl] carbamate is CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(F)c(OC(N)=O)c2)cc1.
What is the InChIKey of [5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-2-fluorophenyl] carbamate?
The InChIKey is JOEVYDWRAZOSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-4-14-5-7-15(8-6-14)22(12-13(2)3)27(24,25)16-9-10-17(20)18(11-16)26-19(21)23/h5-11,13H,4,12H2,1-3H3,(H2,21,23).
What are the key properties of [5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-2-fluorophenyl] carbamate?
[5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-2-fluorophenyl] carbamate has a molecular weight of 394.47 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-2-fluorophenyl] carbamate is sourced from PubChem (CID 174868031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).