3-[(4-fluorophenyl)sulfonylamino]propanoic acid

C9H10FNO4S — CID 757411

IUPAC3-[(4-fluorophenyl)sulfonylamino]propanoic acid
SMILESO=C(O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO4S/c10-7-1-3-8(4-2-7)16(14,15)11-6-5-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKeyUDQZLIWXZJFLPD-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.58
Rot. Bonds5

About 3-[(4-fluorophenyl)sulfonylamino]propanoic acid

3-[(4-fluorophenyl)sulfonylamino]propanoic acid (PubChem CID 757411) has the molecular formula C9H10FNO4S and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylamino]propanoic acid
PubChem CID757411
Molecular FormulaC9H10FNO4S
Molecular Weight247.25 g/mol
Exact Mass247.03
IUPAC Name3-[(4-fluorophenyl)sulfonylamino]propanoic acid
SMILESO=C(O)CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO4S/c10-7-1-3-8(4-2-7)16(14,15)11-6-5-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKeyUDQZLIWXZJFLPD-UHFFFAOYSA-N
XLogP0.58
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Fluorophenylsulfonamido)acetic acid
CID 730269
2-Benzenesulfonamidoacetic acid
CID 220662
4-(4-Fluorobenzenesulfonamido)butanoic acid
CID 2248043
3-(4-Methylbenzenesulfonamido)propanoic acid
CID 266802
4-[(Phenylsulfonyl)amino]butanoic acid
CID 362741
3-[3-(Trifluoromethyl)benzenesulfonamido]propanoic acid
CID 697903
2-Benzenesulfonamidopropanoic acid
CID 362838
3-Benzenesulfonamidopropanoic acid
CID 417017
3-(Benzenesulfonyl-methyl-amino)-propionic acid
CID 268539
(S)-2-(phenylsulfonamido)propanoic acid
CID 7114743
N-((2-Fluorophenyl)sulfonyl)glycine
CID 697744
2-{[(4-Fluorophenyl)sulfonyl]amino}propanoic acid
CID 2774751

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]propanoic acid (CID 757411) is 3-[(4-fluorophenyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]propanoic acid is O=C(O)CCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylamino]propanoic acid?
The InChIKey is UDQZLIWXZJFLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO4S/c10-7-1-3-8(4-2-7)16(14,15)11-6-5-9(12)13/h1-4,11H,5-6H2,(H,12,13).
What are the key properties of 3-[(4-fluorophenyl)sulfonylamino]propanoic acid?
3-[(4-fluorophenyl)sulfonylamino]propanoic acid has a molecular weight of 247.25 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 757411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).