N-[3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide

C15H14F3N5O4S — CID 24638031

IUPACN-[3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NNC(=O)c1cnccn1
InChIInChI=1S/C15H14F3N5O4S/c16-15(17,18)10-2-1-3-11(8-10)28(26,27)21-5-4-13(24)22-23-14(25)12-9-19-6-7-20-12/h1-3,6-9,21H,4-5H2,(H,22,24)(H,23,25)
InChIKeyXYSOMUQHXQKBOU-UHFFFAOYSA-N
MW417.37 g/mol
LogP0.62
Rot. Bonds6

About N-[3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide

N-[3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 24638031) has the molecular formula C15H14F3N5O4S and a molecular weight of 417.37 g/mol. Its IUPAC name is N-[3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID24638031
Molecular FormulaC15H14F3N5O4S
Molecular Weight417.37 g/mol
Exact Mass417.07
IUPAC NameN-[3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NNC(=O)c1cnccn1
InChIInChI=1S/C15H14F3N5O4S/c16-15(17,18)10-2-1-3-11(8-10)28(26,27)21-5-4-13(24)22-23-14(25)12-9-19-6-7-20-12/h1-3,6-9,21H,4-5H2,(H,22,24)(H,23,25)
InChIKeyXYSOMUQHXQKBOU-UHFFFAOYSA-N
XLogP0.62
TPSA130.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.37
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[3-oxo-3-[2-(pyridine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide
CID 27661736
N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 26534767
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 62667844
N-[4-oxo-4-[2-(pyrazine-2-carbonyl)hydrazinyl]butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 18288057
2-methoxyethyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 43050757
N-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 24639452
N-[4-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 24538040
pyrazin-2-yl-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 9496702
N-(2-thiophen-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 24628332
N'-(3-bromophenyl)sulfonylpyrazine-2-carbohydrazide
CID 18207978
2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoylamino]acetic acid
CID 119350481
(2,6-dichlorophenyl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 2382756

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide (CID 24638031) is N-[3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide is O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NNC(=O)c1cnccn1.
What is the InChIKey of N-[3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XYSOMUQHXQKBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O4S/c16-15(17,18)10-2-1-3-11(8-10)28(26,27)21-5-4-13(24)22-23-14(25)12-9-19-6-7-20-12/h1-3,6-9,21H,4-5H2,(H,22,24)(H,23,25).
What are the key properties of N-[3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 417.37 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24638031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).