2-[[5-[[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]pyridine-2-carbonyl]amino]acetic acid

C16H14F3N3O6S — CID 19970498

IUPAC2-[[5-[[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]pyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cn1
InChIInChI=1S/C16H14F3N3O6S/c17-16(18,19)9-28-11-2-4-12(5-3-11)29(26,27)22-10-1-6-13(20-7-10)15(25)21-8-14(23)24/h1-7,22H,8-9H2,(H,21,25)(H,23,24)
InChIKeyXLEUJQLCPAGADO-UHFFFAOYSA-N
MW433.36 g/mol
LogP1.64
Rot. Bonds8

About 2-[[5-[[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]pyridine-2-carbonyl]amino]acetic acid

2-[[5-[[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]pyridine-2-carbonyl]amino]acetic acid (PubChem CID 19970498) has the molecular formula C16H14F3N3O6S and a molecular weight of 433.36 g/mol. Its IUPAC name is 2-[[5-[[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-[[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]pyridine-2-carbonyl]amino]acetic acid
PubChem CID19970498
Molecular FormulaC16H14F3N3O6S
Molecular Weight433.36 g/mol
Exact Mass433.06
IUPAC Name2-[[5-[[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]pyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cn1
InChIInChI=1S/C16H14F3N3O6S/c17-16(18,19)9-28-11-2-4-12(5-3-11)29(26,27)22-10-1-6-13(20-7-10)15(25)21-8-14(23)24/h1-7,22H,8-9H2,(H,21,25)(H,23,24)
InChIKeyXLEUJQLCPAGADO-UHFFFAOYSA-N
XLogP1.64
TPSA134.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.36
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-hydroxypropyl)-5-[[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]pyridine-2-carboxamide
CID 19970370
2-N-[2-[2-(2-hydroxyethyl)hydrazinyl]acetyl]-5-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970552
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010401
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
CID 22203485
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-ethylbenzenesulfonamide
CID 22203492
6-(hydroxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpyridine-3-carboxamide
CID 67866037
2-[[4-[(4-carbamoylphenyl)sulfonylamino]benzoyl]amino]acetic acid
CID 45307830
2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 2473183
5-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2-carboxamide
CID 104642797
N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
CID 22203437
2-[4-[(4-fluoro-3-methylphenyl)sulfamoyl]phenoxy]acetic acid
CID 169440658

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-[[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]pyridine-2-carbonyl]amino]acetic acid (CID 19970498) is 2-[[5-[[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]pyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-[[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-[[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]pyridine-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cn1.
What is the InChIKey of 2-[[5-[[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is XLEUJQLCPAGADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O6S/c17-16(18,19)9-28-11-2-4-12(5-3-11)29(26,27)22-10-1-6-13(20-7-10)15(25)21-8-14(23)24/h1-7,22H,8-9H2,(H,21,25)(H,23,24).
What are the key properties of 2-[[5-[[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]pyridine-2-carbonyl]amino]acetic acid?
2-[[5-[[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 433.36 g/mol, XLogP of 1.64, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylamino]pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 19970498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).