2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid

C11H14FNO5S — CID 43415053

IUPAC2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid
SMILESCCC(NS(=O)(=O)c1ccc(OC)c(F)c1)C(=O)O
InChIInChI=1S/C11H14FNO5S/c1-3-9(11(14)15)13-19(16,17)7-4-5-10(18-2)8(12)6-7/h4-6,9,13H,3H2,1-2H3,(H,14,15)
InChIKeyDETDNTQBAPSOCR-UHFFFAOYSA-N
MW291.30 g/mol
LogP0.98
Rot. Bonds6

About 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid

2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid (PubChem CID 43415053) has the molecular formula C11H14FNO5S and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid
PubChem CID43415053
Molecular FormulaC11H14FNO5S
Molecular Weight291.30 g/mol
Exact Mass291.06
IUPAC Name2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid
SMILESCCC(NS(=O)(=O)c1ccc(OC)c(F)c1)C(=O)O
InChIInChI=1S/C11H14FNO5S/c1-3-9(11(14)15)13-19(16,17)7-4-5-10(18-2)8(12)6-7/h4-6,9,13H,3H2,1-2H3,(H,14,15)
InChIKeyDETDNTQBAPSOCR-UHFFFAOYSA-N
XLogP0.98
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933823
(2S)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 42184451
(2S)-2-[(4-bromo-3-fluorophenyl)sulfonylamino]butanoic acid
CID 104935577
(2R)-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]butanoic acid
CID 82843747
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
2-[[4-(difluoromethoxy)-3-fluorophenyl]sulfonylamino]hexanoic acid
CID 120606777
2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]butanoic acid
CID 43470047
2-[(3,4-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244059
5-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2-methoxybenzoic acid
CID 146133028
2-[[7-(1-carboxypropylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]butanoic acid
CID 3110544
(2S)-6-amino-2-[(3,4-dimethoxyphenyl)sulfonylamino]hexanoic acid
CID 69227886
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 46778206

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid?
The IUPAC name of 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid (CID 43415053) is 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid?
The canonical SMILES for 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid is CCC(NS(=O)(=O)c1ccc(OC)c(F)c1)C(=O)O.
What is the InChIKey of 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid?
The InChIKey is DETDNTQBAPSOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO5S/c1-3-9(11(14)15)13-19(16,17)7-4-5-10(18-2)8(12)6-7/h4-6,9,13H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid?
2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid has a molecular weight of 291.30 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 43415053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).