2-[(2-fluoro-6-methoxyphenyl)sulfonyl-methylamino]-2-methylpropanoic acid

C12H16FNO5S — CID 71246381

IUPAC2-[(2-fluoro-6-methoxyphenyl)sulfonyl-methylamino]-2-methylpropanoic acid
SMILESCOc1cccc(F)c1S(=O)(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H16FNO5S/c1-12(2,11(15)16)14(3)20(17,18)10-8(13)6-5-7-9(10)19-4/h5-7H,1-4H3,(H,15,16)
InChIKeyLRXFWDNLXJBFSW-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.32
Rot. Bonds5

About 2-[(2-fluoro-6-methoxyphenyl)sulfonyl-methylamino]-2-methylpropanoic acid

2-[(2-fluoro-6-methoxyphenyl)sulfonyl-methylamino]-2-methylpropanoic acid (PubChem CID 71246381) has the molecular formula C12H16FNO5S and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[(2-fluoro-6-methoxyphenyl)sulfonyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-fluoro-6-methoxyphenyl)sulfonyl-methylamino]-2-methylpropanoic acid
PubChem CID71246381
Molecular FormulaC12H16FNO5S
Molecular Weight305.33 g/mol
Exact Mass305.07
IUPAC Name2-[(2-fluoro-6-methoxyphenyl)sulfonyl-methylamino]-2-methylpropanoic acid
SMILESCOc1cccc(F)c1S(=O)(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H16FNO5S/c1-12(2,11(15)16)14(3)20(17,18)10-8(13)6-5-7-9(10)19-4/h5-7H,1-4H3,(H,15,16)
InChIKeyLRXFWDNLXJBFSW-UHFFFAOYSA-N
XLogP1.32
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 62817824
2-[(5-bromo-2-methoxyphenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 62818536
2-[benzenesulfonyl(methyl)amino]-2-methylpropanoic acid
CID 62818706
2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 62819415
3-(2-fluoro-6-methoxyphenyl)-3-methylbutanoic acid
CID 117325215
3-fluoro-5-[(2-methoxyphenyl)-methylsulfamoyl]-4-methylbenzoic acid
CID 56799726
2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65060788
1-(2,6-dimethoxyphenyl)-2-(dimethylamino)-2-methylpropan-1-one
CID 116810027
2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid
CID 43237883
5-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 119138916
2-[(3-cyanophenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 55123589
2-[(2-fluoro-6-methoxybenzoyl)-methylamino]acetic acid
CID 65432822

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-6-methoxyphenyl)sulfonyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-fluoro-6-methoxyphenyl)sulfonyl-methylamino]-2-methylpropanoic acid (CID 71246381) is 2-[(2-fluoro-6-methoxyphenyl)sulfonyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-fluoro-6-methoxyphenyl)sulfonyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-fluoro-6-methoxyphenyl)sulfonyl-methylamino]-2-methylpropanoic acid is COc1cccc(F)c1S(=O)(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(2-fluoro-6-methoxyphenyl)sulfonyl-methylamino]-2-methylpropanoic acid?
The InChIKey is LRXFWDNLXJBFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO5S/c1-12(2,11(15)16)14(3)20(17,18)10-8(13)6-5-7-9(10)19-4/h5-7H,1-4H3,(H,15,16).
What are the key properties of 2-[(2-fluoro-6-methoxyphenyl)sulfonyl-methylamino]-2-methylpropanoic acid?
2-[(2-fluoro-6-methoxyphenyl)sulfonyl-methylamino]-2-methylpropanoic acid has a molecular weight of 305.33 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-6-methoxyphenyl)sulfonyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 71246381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).