N'-(2,5-dimethoxyphenyl)sulfonyl-5-(4-fluorophenyl)thiophene-2-carbohydrazide

C19H17FN2O5S2 — CID 29099832

IUPACN'-(2,5-dimethoxyphenyl)sulfonyl-5-(4-fluorophenyl)thiophene-2-carbohydrazide
SMILESCOc1ccc(OC)c(S(=O)(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c1
InChIInChI=1S/C19H17FN2O5S2/c1-26-14-7-8-15(27-2)18(11-14)29(24,25)22-21-19(23)17-10-9-16(28-17)12-3-5-13(20)6-4-12/h3-11,22H,1-2H3,(H,21,23)
InChIKeySXIKUZLOYFCKDA-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.19
Rot. Bonds7

About N'-(2,5-dimethoxyphenyl)sulfonyl-5-(4-fluorophenyl)thiophene-2-carbohydrazide

N'-(2,5-dimethoxyphenyl)sulfonyl-5-(4-fluorophenyl)thiophene-2-carbohydrazide (PubChem CID 29099832) has the molecular formula C19H17FN2O5S2 and a molecular weight of 436.49 g/mol. Its IUPAC name is N'-(2,5-dimethoxyphenyl)sulfonyl-5-(4-fluorophenyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dimethoxyphenyl)sulfonyl-5-(4-fluorophenyl)thiophene-2-carbohydrazide
PubChem CID29099832
Molecular FormulaC19H17FN2O5S2
Molecular Weight436.49 g/mol
Exact Mass436.06
IUPAC NameN'-(2,5-dimethoxyphenyl)sulfonyl-5-(4-fluorophenyl)thiophene-2-carbohydrazide
SMILESCOc1ccc(OC)c(S(=O)(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c1
InChIInChI=1S/C19H17FN2O5S2/c1-26-14-7-8-15(27-2)18(11-14)29(24,25)22-21-19(23)17-10-9-16(28-17)12-3-5-13(20)6-4-12/h3-11,22H,1-2H3,(H,21,23)
InChIKeySXIKUZLOYFCKDA-UHFFFAOYSA-N
XLogP3.19
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.19
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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Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethoxyphenyl)sulfonyl-5-(4-fluorophenyl)thiophene-2-carbohydrazide?
The IUPAC name of N'-(2,5-dimethoxyphenyl)sulfonyl-5-(4-fluorophenyl)thiophene-2-carbohydrazide (CID 29099832) is N'-(2,5-dimethoxyphenyl)sulfonyl-5-(4-fluorophenyl)thiophene-2-carbohydrazide.
What is the SMILES notation for N'-(2,5-dimethoxyphenyl)sulfonyl-5-(4-fluorophenyl)thiophene-2-carbohydrazide?
The canonical SMILES for N'-(2,5-dimethoxyphenyl)sulfonyl-5-(4-fluorophenyl)thiophene-2-carbohydrazide is COc1ccc(OC)c(S(=O)(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c1.
What is the InChIKey of N'-(2,5-dimethoxyphenyl)sulfonyl-5-(4-fluorophenyl)thiophene-2-carbohydrazide?
The InChIKey is SXIKUZLOYFCKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O5S2/c1-26-14-7-8-15(27-2)18(11-14)29(24,25)22-21-19(23)17-10-9-16(28-17)12-3-5-13(20)6-4-12/h3-11,22H,1-2H3,(H,21,23).
What are the key properties of N'-(2,5-dimethoxyphenyl)sulfonyl-5-(4-fluorophenyl)thiophene-2-carbohydrazide?
N'-(2,5-dimethoxyphenyl)sulfonyl-5-(4-fluorophenyl)thiophene-2-carbohydrazide has a molecular weight of 436.49 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethoxyphenyl)sulfonyl-5-(4-fluorophenyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 29099832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).