4-[(3-fluorophenyl)methylsulfamoyl]butanoic acid

C11H14FNO4S — CID 28970518

IUPAC4-[(3-fluorophenyl)methylsulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCc1cccc(F)c1
InChIInChI=1S/C11H14FNO4S/c12-10-4-1-3-9(7-10)8-13-18(16,17)6-2-5-11(14)15/h1,3-4,7,13H,2,5-6,8H2,(H,14,15)
InChIKeyCLBRKIDNVBAGNH-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.11
Rot. Bonds7

About 4-[(3-fluorophenyl)methylsulfamoyl]butanoic acid

4-[(3-fluorophenyl)methylsulfamoyl]butanoic acid (PubChem CID 28970518) has the molecular formula C11H14FNO4S and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methylsulfamoyl]butanoic acid
PubChem CID28970518
Molecular FormulaC11H14FNO4S
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Name4-[(3-fluorophenyl)methylsulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCc1cccc(F)c1
InChIInChI=1S/C11H14FNO4S/c12-10-4-1-3-9(7-10)8-13-18(16,17)6-2-5-11(14)15/h1,3-4,7,13H,2,5-6,8H2,(H,14,15)
InChIKeyCLBRKIDNVBAGNH-UHFFFAOYSA-N
XLogP1.11
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(E)-2-phenylethenyl]sulfonylamino]pentanoic acid
CID 1745909
6-(2-Phenyl-ethenesulfonylamino)-hexanoic acid
CID 2063494
4-[[(E)-2-phenylethenyl]sulfonylamino]butanoic acid
CID 5717798
4-Phenylmethanesulfonylamino-butyric acid
CID 1913032
2-Amino-4-[(4-fluorosulfonylphenyl)methylsulfamoyl]butanoic acid
CID 322235
2-[(Benzylsulfonyl)amino]butanoic acid
CID 2871876
(N-benzylaminosulfonyl)acetic acid
CID 28773962
Methyl 2-[1-[(2-fluorophenyl)methylsulfamoylmethyl]cyclopropyl]acetate
CID 72106385
(E)-6-[3-[[(E)-2-(3-fluorophenyl)ethenyl]sulfonylamino]cyclopentyl]hex-5-enoic acid
CID 18797910
(E)-6-[3-[[(E)-2-(3-fluorophenyl)ethenyl]sulfonylamino]cyclohexyl]hex-5-enoic acid
CID 18797931
(E)-7-[2-[[(E)-2-(3-fluorophenyl)ethenyl]sulfonylamino]cyclopentyl]hept-5-enoic acid
CID 18797939
(E)-7-[2-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylamino]cyclopentyl]hept-5-enoic acid
CID 18798004

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methylsulfamoyl]butanoic acid?
The IUPAC name of 4-[(3-fluorophenyl)methylsulfamoyl]butanoic acid (CID 28970518) is 4-[(3-fluorophenyl)methylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(3-fluorophenyl)methylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[(3-fluorophenyl)methylsulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)NCc1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methylsulfamoyl]butanoic acid?
The InChIKey is CLBRKIDNVBAGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S/c12-10-4-1-3-9(7-10)8-13-18(16,17)6-2-5-11(14)15/h1,3-4,7,13H,2,5-6,8H2,(H,14,15).
What are the key properties of 4-[(3-fluorophenyl)methylsulfamoyl]butanoic acid?
4-[(3-fluorophenyl)methylsulfamoyl]butanoic acid has a molecular weight of 275.30 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methylsulfamoyl]butanoic acid is sourced from PubChem (CID 28970518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).