2-[(2,6-difluorophenyl)sulfonyl-propylamino]acetic acid

C11H13F2NO4S — CID 61007874

IUPAC2-[(2,6-difluorophenyl)sulfonyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C11H13F2NO4S/c1-2-6-14(7-10(15)16)19(17,18)11-8(12)4-3-5-9(11)13/h3-5H,2,6-7H2,1H3,(H,15,16)
InChIKeyJHNWHLPVOXKYEL-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.45
Rot. Bonds6

About 2-[(2,6-difluorophenyl)sulfonyl-propylamino]acetic acid

2-[(2,6-difluorophenyl)sulfonyl-propylamino]acetic acid (PubChem CID 61007874) has the molecular formula C11H13F2NO4S and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)sulfonyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)sulfonyl-propylamino]acetic acid
PubChem CID61007874
Molecular FormulaC11H13F2NO4S
Molecular Weight293.29 g/mol
Exact Mass293.05
IUPAC Name2-[(2,6-difluorophenyl)sulfonyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C11H13F2NO4S/c1-2-6-14(7-10(15)16)19(17,18)11-8(12)4-3-5-9(11)13/h3-5H,2,6-7H2,1H3,(H,15,16)
InChIKeyJHNWHLPVOXKYEL-UHFFFAOYSA-N
XLogP1.45
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,6-difluorophenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265452
2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid
CID 43237883
2-[naphthalen-1-ylsulfonyl(propyl)amino]acetic acid
CID 114533570
N-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide
CID 78787052
2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid
CID 61008189
ethyl 2-[(2,6-difluorophenyl)sulfonyl-ethylamino]acetate
CID 61012274
2-[(1,2-dimethylindol-3-yl)sulfonyl-propylamino]acetic acid
CID 122071246
2-[(2-fluoro-5-nitrophenyl)sulfonyl-propylamino]acetic acid
CID 61008941
2-[(2,6-difluorobenzoyl)-propylamino]acetic acid
CID 61011405
3-[(2,6-difluorophenyl)sulfonyl-ethylamino]butanoic acid
CID 62827786
ethyl 2-[(2,6-difluorophenyl)sulfonyl-[[2-[[(2,6-difluorophenyl)sulfonyl-(2-ethoxy-2-oxoethyl)amino]methyl]phenyl]methyl]amino]acetate
CID 164732506
3-(2,6-difluoro-N-propylanilino)propanoic acid
CID 82317826

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)sulfonyl-propylamino]acetic acid?
The IUPAC name of 2-[(2,6-difluorophenyl)sulfonyl-propylamino]acetic acid (CID 61007874) is 2-[(2,6-difluorophenyl)sulfonyl-propylamino]acetic acid.
What is the SMILES notation for 2-[(2,6-difluorophenyl)sulfonyl-propylamino]acetic acid?
The canonical SMILES for 2-[(2,6-difluorophenyl)sulfonyl-propylamino]acetic acid is CCCN(CC(=O)O)S(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 2-[(2,6-difluorophenyl)sulfonyl-propylamino]acetic acid?
The InChIKey is JHNWHLPVOXKYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO4S/c1-2-6-14(7-10(15)16)19(17,18)11-8(12)4-3-5-9(11)13/h3-5H,2,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[(2,6-difluorophenyl)sulfonyl-propylamino]acetic acid?
2-[(2,6-difluorophenyl)sulfonyl-propylamino]acetic acid has a molecular weight of 293.29 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)sulfonyl-propylamino]acetic acid is sourced from PubChem (CID 61007874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).