N-[2-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzenesulfonamide

C14H14F3N5O4S — CID 100756968

IUPACN-[2-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccnc(NNC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H14F3N5O4S/c1-26-12-6-7-18-13(20-12)22-21-11(23)8-19-27(24,25)10-5-3-2-4-9(10)14(15,16)17/h2-7,19H,8H2,1H3,(H,21,23)(H,18,20,22)
InChIKeyFSNWFECTTGHOTN-UHFFFAOYSA-N
MW405.36 g/mol
LogP0.93
Rot. Bonds7

About N-[2-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzenesulfonamide

N-[2-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 100756968) has the molecular formula C14H14F3N5O4S and a molecular weight of 405.36 g/mol. Its IUPAC name is N-[2-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID100756968
Molecular FormulaC14H14F3N5O4S
Molecular Weight405.36 g/mol
Exact Mass405.07
IUPAC NameN-[2-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccnc(NNC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H14F3N5O4S/c1-26-12-6-7-18-13(20-12)22-21-11(23)8-19-27(24,25)10-5-3-2-4-9(10)14(15,16)17/h2-7,19H,8H2,1H3,(H,21,23)(H,18,20,22)
InChIKeyFSNWFECTTGHOTN-UHFFFAOYSA-N
XLogP0.93
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.36
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzenesulfonamide (CID 100756968) is N-[2-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzenesulfonamide is COc1ccnc(NNC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-[2-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FSNWFECTTGHOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O4S/c1-26-12-6-7-18-13(20-12)22-21-11(23)8-19-27(24,25)10-5-3-2-4-9(10)14(15,16)17/h2-7,19H,8H2,1H3,(H,21,23)(H,18,20,22).
What are the key properties of N-[2-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[2-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 405.36 g/mol, XLogP of 0.93, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxypyrimidin-2-yl)hydrazinyl]-2-oxoethyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 100756968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).