2-[(2-fluorophenyl)sulfonylamino]butanedioic acid

C10H10FNO6S — CID 71628755

IUPAC2-[(2-fluorophenyl)sulfonylamino]butanedioic acid
SMILESO=C(O)CC(NS(=O)(=O)c1ccccc1F)C(=O)O
InChIInChI=1S/C10H10FNO6S/c11-6-3-1-2-4-8(6)19(17,18)12-7(10(15)16)5-9(13)14/h1-4,7,12H,5H2,(H,13,14)(H,15,16)
InChIKeyIHQKAWZDADZBME-UHFFFAOYSA-N
MW291.26 g/mol
LogP0.03
Rot. Bonds6

About 2-[(2-fluorophenyl)sulfonylamino]butanedioic acid

2-[(2-fluorophenyl)sulfonylamino]butanedioic acid (PubChem CID 71628755) has the molecular formula C10H10FNO6S and a molecular weight of 291.26 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]butanedioic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]butanedioic acid
PubChem CID71628755
Molecular FormulaC10H10FNO6S
Molecular Weight291.26 g/mol
Exact Mass291.02
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]butanedioic acid
SMILESO=C(O)CC(NS(=O)(=O)c1ccccc1F)C(=O)O
InChIInChI=1S/C10H10FNO6S/c11-6-3-1-2-4-8(6)19(17,18)12-7(10(15)16)5-9(13)14/h1-4,7,12H,5H2,(H,13,14)(H,15,16)
InChIKeyIHQKAWZDADZBME-UHFFFAOYSA-N
XLogP0.03
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 40608062
2-[(2-chlorophenyl)sulfonylamino]butanedioic acid
CID 71628754
(2S)-2-[(2-nitrophenyl)sulfonylamino]butanedioic acid
CID 53474586
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
3-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 113415917
(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]butanedioic acid
CID 154863455
2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
CID 119350026
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]butanedioic acid
CID 42080975
(2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 28828867
4-[(2-fluorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540391
(2-amino-2-oxoethyl) (2R)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 2540770
2-[[2-[(1-carboxy-3-methylbutyl)sulfamoyl]phenyl]sulfonylamino]-4-methylpentanoic acid
CID 24761708

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]butanedioic acid?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]butanedioic acid (CID 71628755) is 2-[(2-fluorophenyl)sulfonylamino]butanedioic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]butanedioic acid?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]butanedioic acid is O=C(O)CC(NS(=O)(=O)c1ccccc1F)C(=O)O.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]butanedioic acid?
The InChIKey is IHQKAWZDADZBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO6S/c11-6-3-1-2-4-8(6)19(17,18)12-7(10(15)16)5-9(13)14/h1-4,7,12H,5H2,(H,13,14)(H,15,16).
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]butanedioic acid?
2-[(2-fluorophenyl)sulfonylamino]butanedioic acid has a molecular weight of 291.26 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]butanedioic acid is sourced from PubChem (CID 71628755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).