5-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide

C18H15FN2O4S2 — CID 9241021

IUPAC5-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C18H15FN2O4S2/c1-25-14-6-8-15(9-7-14)27(23,24)21-20-18(22)17-11-10-16(26-17)12-2-4-13(19)5-3-12/h2-11,21H,1H3,(H,20,22)
InChIKeyIRSCBUQDVXHPBC-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.19
Rot. Bonds6

About 5-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide

5-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide (PubChem CID 9241021) has the molecular formula C18H15FN2O4S2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide
PubChem CID9241021
Molecular FormulaC18H15FN2O4S2
Molecular Weight406.46 g/mol
Exact Mass406.05
IUPAC Name5-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C18H15FN2O4S2/c1-25-14-6-8-15(9-7-14)27(23,24)21-20-18(22)17-11-10-16(26-17)12-2-4-13(19)5-3-12/h2-11,21H,1H3,(H,20,22)
InChIKeyIRSCBUQDVXHPBC-UHFFFAOYSA-N
XLogP3.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide?
The IUPAC name of 5-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide (CID 9241021) is 5-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide.
What is the SMILES notation for 5-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide?
The canonical SMILES for 5-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide is COc1ccc(S(=O)(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide?
The InChIKey is IRSCBUQDVXHPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4S2/c1-25-14-6-8-15(9-7-14)27(23,24)21-20-18(22)17-11-10-16(26-17)12-2-4-13(19)5-3-12/h2-11,21H,1H3,(H,20,22).
What are the key properties of 5-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide?
5-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide has a molecular weight of 406.46 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N'-(4-methoxyphenyl)sulfonylthiophene-2-carbohydrazide is sourced from PubChem (CID 9241021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).