2-[(2-fluoro-5-methoxyphenyl)methylsulfamoylamino]acetic acid

C10H13FN2O5S — CID 166400734

IUPAC2-[(2-fluoro-5-methoxyphenyl)methylsulfamoylamino]acetic acid
SMILESCOc1ccc(F)c(CNS(=O)(=O)NCC(=O)O)c1
InChIInChI=1S/C10H13FN2O5S/c1-18-8-2-3-9(11)7(4-8)5-12-19(16,17)13-6-10(14)15/h2-4,12-13H,5-6H2,1H3,(H,14,15)
InChIKeyRXYJHGHYYMVQNY-UHFFFAOYSA-N
MW292.29 g/mol
LogP-0.16
Rot. Bonds7

About 2-[(2-fluoro-5-methoxyphenyl)methylsulfamoylamino]acetic acid

2-[(2-fluoro-5-methoxyphenyl)methylsulfamoylamino]acetic acid (PubChem CID 166400734) has the molecular formula C10H13FN2O5S and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[(2-fluoro-5-methoxyphenyl)methylsulfamoylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-fluoro-5-methoxyphenyl)methylsulfamoylamino]acetic acid
PubChem CID166400734
Molecular FormulaC10H13FN2O5S
Molecular Weight292.29 g/mol
Exact Mass292.05
IUPAC Name2-[(2-fluoro-5-methoxyphenyl)methylsulfamoylamino]acetic acid
SMILESCOc1ccc(F)c(CNS(=O)(=O)NCC(=O)O)c1
InChIInChI=1S/C10H13FN2O5S/c1-18-8-2-3-9(11)7(4-8)5-12-19(16,17)13-6-10(14)15/h2-4,12-13H,5-6H2,1H3,(H,14,15)
InChIKeyRXYJHGHYYMVQNY-UHFFFAOYSA-N
XLogP-0.16
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluoro-5-methoxyphenyl)propanoic acid
CID 83402634
3-[(2,5-dimethoxyphenyl)methylsulfamoyl]-4-fluorobenzoic acid
CID 9160130
1-fluoro-4-methoxy-2-(methylsulfonylmethyl)benzene
CID 130132950
2-[(2,5-dimethoxyphenyl)methylamino]acetic acid
CID 43135095
2-(2-fluoro-5-methoxyphenoxy)acetic acid
CID 84669223
(2-(18F)fluoro-5-methoxyphenyl)methyl acetate
CID 156599512
N-[2-(2-fluoro-5-methoxyphenyl)ethyl]acetamide
CID 86035442
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 167530984
2-[(2-amino-4-methoxyphenyl)methylsulfamoyl]acetic acid
CID 71398855
2-[(2-fluoro-5-methoxyphenyl)methyl]-2-formamidopropanedioic acid
CID 87997182
N'-[(2-fluoro-5-methoxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 142265352
2-[(2,4-dimethoxyphenyl)methylamino]acetic acid
CID 11042399

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-5-methoxyphenyl)methylsulfamoylamino]acetic acid?
The IUPAC name of 2-[(2-fluoro-5-methoxyphenyl)methylsulfamoylamino]acetic acid (CID 166400734) is 2-[(2-fluoro-5-methoxyphenyl)methylsulfamoylamino]acetic acid.
What is the SMILES notation for 2-[(2-fluoro-5-methoxyphenyl)methylsulfamoylamino]acetic acid?
The canonical SMILES for 2-[(2-fluoro-5-methoxyphenyl)methylsulfamoylamino]acetic acid is COc1ccc(F)c(CNS(=O)(=O)NCC(=O)O)c1.
What is the InChIKey of 2-[(2-fluoro-5-methoxyphenyl)methylsulfamoylamino]acetic acid?
The InChIKey is RXYJHGHYYMVQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O5S/c1-18-8-2-3-9(11)7(4-8)5-12-19(16,17)13-6-10(14)15/h2-4,12-13H,5-6H2,1H3,(H,14,15).
What are the key properties of 2-[(2-fluoro-5-methoxyphenyl)methylsulfamoylamino]acetic acid?
2-[(2-fluoro-5-methoxyphenyl)methylsulfamoylamino]acetic acid has a molecular weight of 292.29 g/mol, XLogP of -0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-5-methoxyphenyl)methylsulfamoylamino]acetic acid is sourced from PubChem (CID 166400734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).