2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetic acid

C10H10FNO6S — CID 705727

IUPAC2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetic acid
SMILESO=C(O)CN(CC(=O)O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO6S/c11-7-1-3-8(4-2-7)19(17,18)12(5-9(13)14)6-10(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)
InChIKeySGQDSDPMMQGMCK-UHFFFAOYSA-N
MW291.26 g/mol
LogP-0.01
Rot. Bonds6

About 2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetic acid

2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetic acid (PubChem CID 705727) has the molecular formula C10H10FNO6S and a molecular weight of 291.26 g/mol. Its IUPAC name is 2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetic acid
PubChem CID705727
Molecular FormulaC10H10FNO6S
Molecular Weight291.26 g/mol
Exact Mass291.02
IUPAC Name2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetic acid
SMILESO=C(O)CN(CC(=O)O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H10FNO6S/c11-7-1-3-8(4-2-7)19(17,18)12(5-9(13)14)6-10(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)
InChIKeySGQDSDPMMQGMCK-UHFFFAOYSA-N
XLogP-0.01
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[carboxymethyl-(4-fluorophenyl)sulfonylamino]benzoic acid
CID 50894343
N-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]-(4-fluorophenyl)sulfonylamino]acetamide
CID 18133694
2-[3-[carboxymethyl-(4-methylphenyl)sulfonylamino]propyl-(4-methylphenyl)sulfonylamino]acetic acid
CID 71676651
2-[(4-methylphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258315
4-fluoro-N-hydroxy-N-methylbenzenesulfonamide
CID 130971080
2-[(3,5-difluorophenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265453
4-fluoro-N,N-dihexylbenzenesulfonamide
CID 3650162
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-phenylacetamide
CID 23913704
2-[(4-propan-2-ylphenyl)sulfonyl-prop-2-ynylamino]acetic acid
CID 79274625
2-[[2-[[carboxymethyl-(3,4-difluorophenyl)sulfonylamino]methyl]phenyl]methyl-(3,4-difluorophenyl)sulfonylamino]acetic acid
CID 155007527
2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetic acid
CID 50892863
2-[(2-amino-2-oxoethyl)-[4-(cyanomethyl)phenyl]sulfonylamino]acetic acid
CID 107435746

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetic acid (CID 705727) is 2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetic acid is O=C(O)CN(CC(=O)O)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetic acid?
The InChIKey is SGQDSDPMMQGMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO6S/c11-7-1-3-8(4-2-7)19(17,18)12(5-9(13)14)6-10(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16).
What are the key properties of 2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetic acid?
2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetic acid has a molecular weight of 291.26 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 705727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).