methyl 5-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoate

C18H20FNO5S — CID 126480845

IUPACmethyl 5-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(N(CC(C)C)S(=O)(=O)c2ccc(F)cc2)ccc1O
InChIInChI=1S/C18H20FNO5S/c1-12(2)11-20(26(23,24)15-7-4-13(19)5-8-15)14-6-9-17(21)16(10-14)18(22)25-3/h4-10,12,21H,11H2,1-3H3
InChIKeyGZCXZLYYQVRMNG-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.17
Rot. Bonds6

About methyl 5-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoate

methyl 5-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoate (PubChem CID 126480845) has the molecular formula C18H20FNO5S and a molecular weight of 381.43 g/mol. Its IUPAC name is methyl 5-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoate
PubChem CID126480845
Molecular FormulaC18H20FNO5S
Molecular Weight381.43 g/mol
Exact Mass381.10
IUPAC Namemethyl 5-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(N(CC(C)C)S(=O)(=O)c2ccc(F)cc2)ccc1O
InChIInChI=1S/C18H20FNO5S/c1-12(2)11-20(26(23,24)15-7-4-13(19)5-8-15)14-6-9-17(21)16(10-14)18(22)25-3/h4-10,12,21H,11H2,1-3H3
InChIKeyGZCXZLYYQVRMNG-UHFFFAOYSA-N
XLogP3.17
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-2-methylbenzoate
CID 135251977
N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 138798374
4-[[4-(3,5-dimethylphenoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoic acid
CID 126480761
methyl 2-[2,3-dihydro-1,4-benzodioxin-6-yl-(4-fluorophenyl)sulfonylamino]acetate
CID 100504078
methyl 2-hydroxy-5-methoxysulfonylbenzoate
CID 131860467
methyl 2-fluoro-4-[[(4-fluorophenyl)sulfonyl-pentan-3-ylamino]methyl]benzoate
CID 66978802
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(3-methylbutyl)acetamide
CID 126277699
[5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-2-fluorophenyl] carbamate
CID 174868031
methyl 2-[1,3-benzodioxol-5-yl-(4-fluorophenyl)sulfonylamino]acetate
CID 100503125
N-(2,4-dimethylpentan-3-yl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280195
methyl 2-chloro-5-[ethyl-(4-nitrophenyl)sulfonylamino]benzoate
CID 100529126
methyl 2-(3-bromo-N-(4-fluorophenyl)sulfonylanilino)acetate
CID 50890869

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoate?
The IUPAC name of methyl 5-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoate (CID 126480845) is methyl 5-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoate.
What is the SMILES notation for methyl 5-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoate?
The canonical SMILES for methyl 5-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoate is COC(=O)c1cc(N(CC(C)C)S(=O)(=O)c2ccc(F)cc2)ccc1O.
What is the InChIKey of methyl 5-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoate?
The InChIKey is GZCXZLYYQVRMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO5S/c1-12(2)11-20(26(23,24)15-7-4-13(19)5-8-15)14-6-9-17(21)16(10-14)18(22)25-3/h4-10,12,21H,11H2,1-3H3.
What are the key properties of methyl 5-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoate?
methyl 5-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoate has a molecular weight of 381.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-2-hydroxybenzoate is sourced from PubChem (CID 126480845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).