2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid

C10H10ClF2NO5S — CID 122101473

IUPAC2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C10H10ClF2NO5S/c1-14(5-9(15)16)20(17,18)8-4-6(11)2-3-7(8)19-10(12)13/h2-4,10H,5H2,1H3,(H,15,16)
InChIKeyXRYYUADOLJFMAS-UHFFFAOYSA-N
MW329.71 g/mol
LogP1.65
Rot. Bonds6

About 2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid

2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid (PubChem CID 122101473) has the molecular formula C10H10ClF2NO5S and a molecular weight of 329.71 g/mol. Its IUPAC name is 2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid
PubChem CID122101473
Molecular FormulaC10H10ClF2NO5S
Molecular Weight329.71 g/mol
Exact Mass328.99
IUPAC Name2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid
SMILESCN(CC(=O)O)S(=O)(=O)c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C10H10ClF2NO5S/c1-14(5-9(15)16)20(17,18)8-4-6(11)2-3-7(8)19-10(12)13/h2-4,10H,5H2,1H3,(H,15,16)
InChIKeyXRYYUADOLJFMAS-UHFFFAOYSA-N
XLogP1.65
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.71
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid
CID 43351470
2-[(5-chloro-2-methoxyphenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 120602751
5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride
CID 51064979
N-tert-butyl-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetamide
CID 37499853
2-[(5-chloro-2-ethoxyphenyl)sulfonyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 30167910
2-[(2-amino-2-oxoethyl)-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 107440793
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 45373445
2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonylamino]hexanoic acid
CID 122101400
5-chloro-2-methoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 6493711
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 45373349
2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl-methylamino]propanoic acid
CID 62639812
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 45373346

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid?
The IUPAC name of 2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid (CID 122101473) is 2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid?
The canonical SMILES for 2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid is CN(CC(=O)O)S(=O)(=O)c1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid?
The InChIKey is XRYYUADOLJFMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO5S/c1-14(5-9(15)16)20(17,18)8-4-6(11)2-3-7(8)19-10(12)13/h2-4,10H,5H2,1H3,(H,15,16).
What are the key properties of 2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid?
2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid has a molecular weight of 329.71 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid is sourced from PubChem (CID 122101473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).