N'-(2-methylfuran-3-carbonyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbohydrazide

C18H19F3N4O6S — CID 46583825

IUPACN'-(2-methylfuran-3-carbonyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H19F3N4O6S/c1-12-15(6-11-30-12)16(26)22-23-17(27)24-7-9-25(10-8-24)32(28,29)14-4-2-13(3-5-14)31-18(19,20)21/h2-6,11H,7-10H2,1H3,(H,22,26)(H,23,27)
InChIKeyRPTGRDXNMORLGA-UHFFFAOYSA-N
MW476.43 g/mol
LogP1.85
Rot. Bonds4

About N'-(2-methylfuran-3-carbonyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbohydrazide

N'-(2-methylfuran-3-carbonyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbohydrazide (PubChem CID 46583825) has the molecular formula C18H19F3N4O6S and a molecular weight of 476.43 g/mol. Its IUPAC name is N'-(2-methylfuran-3-carbonyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methylfuran-3-carbonyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbohydrazide
PubChem CID46583825
Molecular FormulaC18H19F3N4O6S
Molecular Weight476.43 g/mol
Exact Mass476.10
IUPAC NameN'-(2-methylfuran-3-carbonyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H19F3N4O6S/c1-12-15(6-11-30-12)16(26)22-23-17(27)24-7-9-25(10-8-24)32(28,29)14-4-2-13(3-5-14)31-18(19,20)21/h2-6,11H,7-10H2,1H3,(H,22,26)(H,23,27)
InChIKeyRPTGRDXNMORLGA-UHFFFAOYSA-N
XLogP1.85
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
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-(4-methylphenyl)sulfonylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 27508693
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 9326834
furan-3-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone
CID 24531914
2-methyl-N-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]furan-3-carboxamide
CID 55834295
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 26203941
(E)-3-(furan-2-yl)-1-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 26680823
pyridin-4-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone
CID 4875578
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carboxamide
CID 55912059
[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8648862
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone
CID 4793470
N-[1-(2-methylpropyl)piperidin-4-yl]-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carboxamide
CID 55793877
[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 27769595

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylfuran-3-carbonyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbohydrazide?
The IUPAC name of N'-(2-methylfuran-3-carbonyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbohydrazide (CID 46583825) is N'-(2-methylfuran-3-carbonyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbohydrazide.
What is the SMILES notation for N'-(2-methylfuran-3-carbonyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbohydrazide?
The canonical SMILES for N'-(2-methylfuran-3-carbonyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbohydrazide is Cc1occc1C(=O)NNC(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N'-(2-methylfuran-3-carbonyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbohydrazide?
The InChIKey is RPTGRDXNMORLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O6S/c1-12-15(6-11-30-12)16(26)22-23-17(27)24-7-9-25(10-8-24)32(28,29)14-4-2-13(3-5-14)31-18(19,20)21/h2-6,11H,7-10H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N'-(2-methylfuran-3-carbonyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbohydrazide?
N'-(2-methylfuran-3-carbonyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbohydrazide has a molecular weight of 476.43 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylfuran-3-carbonyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbohydrazide is sourced from PubChem (CID 46583825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).