2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid

C10H12FNO4S — CID 107326194

IUPAC2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCC(=O)O
InChIInChI=1S/C10H12FNO4S/c1-6-3-8(11)4-7(2)10(6)17(15,16)12-5-9(13)14/h3-4,12H,5H2,1-2H3,(H,13,14)
InChIKeyRVTHDVYIEYZREQ-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.81
Rot. Bonds4

About 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid

2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid (PubChem CID 107326194) has the molecular formula C10H12FNO4S and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid
PubChem CID107326194
Molecular FormulaC10H12FNO4S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Name2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCC(=O)O
InChIInChI=1S/C10H12FNO4S/c1-6-3-8(11)4-7(2)10(6)17(15,16)12-5-9(13)14/h3-4,12H,5H2,1-2H3,(H,13,14)
InChIKeyRVTHDVYIEYZREQ-UHFFFAOYSA-N
XLogP0.81
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethyl-2-oxobutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327684
4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 107326601
4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107326821
N-tert-butyl-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetamide
CID 107327346
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 107327408
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethanimidamide
CID 107329498
N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 107326734
3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 106108260
3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 107327415
(2R)-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]butanoic acid
CID 107326445
N'-(4-fluoro-2,6-dimethylphenyl)sulfonylacetohydrazide
CID 107326948
N-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328336

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid (CID 107326194) is 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid is Cc1cc(F)cc(C)c1S(=O)(=O)NCC(=O)O.
What is the InChIKey of 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid?
The InChIKey is RVTHDVYIEYZREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4S/c1-6-3-8(11)4-7(2)10(6)17(15,16)12-5-9(13)14/h3-4,12H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid?
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid has a molecular weight of 261.27 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 107326194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).