2-[(3-fluorophenyl)methylsulfamoyl]acetic acid

C9H10FNO4S — CID 28970516

IUPAC2-[(3-fluorophenyl)methylsulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NCc1cccc(F)c1
InChIInChI=1S/C9H10FNO4S/c10-8-3-1-2-7(4-8)5-11-16(14,15)6-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKeyVPFOTRLLIMXSKO-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.33
Rot. Bonds5

About 2-[(3-fluorophenyl)methylsulfamoyl]acetic acid

2-[(3-fluorophenyl)methylsulfamoyl]acetic acid (PubChem CID 28970516) has the molecular formula C9H10FNO4S and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylsulfamoyl]acetic acid
PubChem CID28970516
Molecular FormulaC9H10FNO4S
Molecular Weight247.25 g/mol
Exact Mass247.03
IUPAC Name2-[(3-fluorophenyl)methylsulfamoyl]acetic acid
SMILESO=C(O)CS(=O)(=O)NCc1cccc(F)c1
InChIInChI=1S/C9H10FNO4S/c10-8-3-1-2-7(4-8)5-11-16(14,15)6-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKeyVPFOTRLLIMXSKO-UHFFFAOYSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Mafenide Acetate
CID 25590
2-(2-Phenylethenesulfonamido)acetic acid
CID 723005
[(Benzylsulfonyl)amino]acetic acid
CID 227303
1-cyano-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 55207867
N-[(4-fluorophenyl)methyl]ethanesulfonamide
CID 897917
N-[(2-fluorophenyl)methyl]ethanesulfonamide
CID 6466934
2-Amino-N-[(4-fluorophenyl)methyl]ethane-1-sulfonamide
CID 16788916
(N-benzylaminosulfonyl)acetic acid
CID 28773962
N-(2,6-difluorobenzyl)cyclopropanesulfonamide
CID 45497314
N-[(4-fluoro-3-methylphenyl)methyl]ethanesulfonamide
CID 47371744
N-(2,4-difluorobenzyl)cyclopropanesulfonamide
CID 49715108
Methyl 2-{[4-(aminomethyl)phenyl]methanesulfonyl}acetate
CID 64699257

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylsulfamoyl]acetic acid?
The IUPAC name of 2-[(3-fluorophenyl)methylsulfamoyl]acetic acid (CID 28970516) is 2-[(3-fluorophenyl)methylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[(3-fluorophenyl)methylsulfamoyl]acetic acid?
The canonical SMILES for 2-[(3-fluorophenyl)methylsulfamoyl]acetic acid is O=C(O)CS(=O)(=O)NCc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methylsulfamoyl]acetic acid?
The InChIKey is VPFOTRLLIMXSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO4S/c10-8-3-1-2-7(4-8)5-11-16(14,15)6-9(12)13/h1-4,11H,5-6H2,(H,12,13).
What are the key properties of 2-[(3-fluorophenyl)methylsulfamoyl]acetic acid?
2-[(3-fluorophenyl)methylsulfamoyl]acetic acid has a molecular weight of 247.25 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylsulfamoyl]acetic acid is sourced from PubChem (CID 28970516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).