2-[(4-fluorophenyl)methyl-methylsulfamoyl]acetic acid

C10H12FNO4S — CID 43578515

IUPAC2-[(4-fluorophenyl)methyl-methylsulfamoyl]acetic acid
SMILESCN(Cc1ccc(F)cc1)S(=O)(=O)CC(=O)O
InChIInChI=1S/C10H12FNO4S/c1-12(17(15,16)7-10(13)14)6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyYGKQSAZKMSVCIG-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.67
Rot. Bonds5

About 2-[(4-fluorophenyl)methyl-methylsulfamoyl]acetic acid

2-[(4-fluorophenyl)methyl-methylsulfamoyl]acetic acid (PubChem CID 43578515) has the molecular formula C10H12FNO4S and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-methylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-methylsulfamoyl]acetic acid
PubChem CID43578515
Molecular FormulaC10H12FNO4S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Name2-[(4-fluorophenyl)methyl-methylsulfamoyl]acetic acid
SMILESCN(Cc1ccc(F)cc1)S(=O)(=O)CC(=O)O
InChIInChI=1S/C10H12FNO4S/c1-12(17(15,16)7-10(13)14)6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyYGKQSAZKMSVCIG-UHFFFAOYSA-N
XLogP0.67
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Benzyl-methanesulfonyl-amino)-propionic acid
CID 646687
N-benzyl-N-[(4-fluorophenyl)sulfonyl]glycine
CID 757559
N-benzyl-N-(methylsulfonyl)glycine
CID 300151
2-[(4-fluorophenyl)methyl]-3H-1,2-thiazole 1,1-dioxide
CID 53240151
N-(4-fluorobenzyl)-N-methylmethanesulfonamide
CID 60681387
N-(4-fluorobenzyl)-N-(methoxycarbonyl)cyanomethanesulfonamide
CID 129709001
2-(N-benzyl2-phenylethenesulfonamido)acetic acid
CID 2392892
n-Benzyl-n-methylethene-1-sulfonamide
CID 22164695
(N-benzylaminosulfonyl)acetic acid
CID 28773962
N-(4-fluorobenzyl)-N-(methylsulfonyl)glycine
CID 308231
N-benzyl-1-(4-fluorophenyl)-N-methylmethanesulfonamide
CID 17741088
N-benzyl-1-(2-fluorophenyl)-N-methylmethanesulfonamide
CID 17741174

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-methylsulfamoyl]acetic acid?
The IUPAC name of 2-[(4-fluorophenyl)methyl-methylsulfamoyl]acetic acid (CID 43578515) is 2-[(4-fluorophenyl)methyl-methylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-methylsulfamoyl]acetic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-methylsulfamoyl]acetic acid is CN(Cc1ccc(F)cc1)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-methylsulfamoyl]acetic acid?
The InChIKey is YGKQSAZKMSVCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4S/c1-12(17(15,16)7-10(13)14)6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3,(H,13,14).
What are the key properties of 2-[(4-fluorophenyl)methyl-methylsulfamoyl]acetic acid?
2-[(4-fluorophenyl)methyl-methylsulfamoyl]acetic acid has a molecular weight of 261.27 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-methylsulfamoyl]acetic acid is sourced from PubChem (CID 43578515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).