2-(2,2,2-trifluoroethylsulfamoylamino)acetic acid

C4H7F3N2O4S — CID 114805142

IUPAC2-(2,2,2-trifluoroethylsulfamoylamino)acetic acid
SMILESO=C(O)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C4H7F3N2O4S/c5-4(6,7)2-9-14(12,13)8-1-3(10)11/h8-9H,1-2H2,(H,10,11)
InChIKeyDLDGMLWDNFNBQM-UHFFFAOYSA-N
MW236.17 g/mol
LogP-0.94
Rot. Bonds5

About 2-(2,2,2-trifluoroethylsulfamoylamino)acetic acid

2-(2,2,2-trifluoroethylsulfamoylamino)acetic acid (PubChem CID 114805142) has the molecular formula C4H7F3N2O4S and a molecular weight of 236.17 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylsulfamoylamino)acetic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylsulfamoylamino)acetic acid
PubChem CID114805142
Molecular FormulaC4H7F3N2O4S
Molecular Weight236.17 g/mol
Exact Mass236.01
IUPAC Name2-(2,2,2-trifluoroethylsulfamoylamino)acetic acid
SMILESO=C(O)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C4H7F3N2O4S/c5-4(6,7)2-9-14(12,13)8-1-3(10)11/h8-9H,1-2H2,(H,10,11)
InChIKeyDLDGMLWDNFNBQM-UHFFFAOYSA-N
XLogP-0.94
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.17
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylsulfamoylamino)acetic acid?
The IUPAC name of 2-(2,2,2-trifluoroethylsulfamoylamino)acetic acid (CID 114805142) is 2-(2,2,2-trifluoroethylsulfamoylamino)acetic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethylsulfamoylamino)acetic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethylsulfamoylamino)acetic acid is O=C(O)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylsulfamoylamino)acetic acid?
The InChIKey is DLDGMLWDNFNBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2O4S/c5-4(6,7)2-9-14(12,13)8-1-3(10)11/h8-9H,1-2H2,(H,10,11).
What are the key properties of 2-(2,2,2-trifluoroethylsulfamoylamino)acetic acid?
2-(2,2,2-trifluoroethylsulfamoylamino)acetic acid has a molecular weight of 236.17 g/mol, XLogP of -0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylsulfamoylamino)acetic acid is sourced from PubChem (CID 114805142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).