N'-(4-methoxyphenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide

C16H15N3O4S2 — CID 3811926

IUPACN'-(4-methoxyphenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)c2sccc2-n2cccc2)cc1
InChIInChI=1S/C16H15N3O4S2/c1-23-12-4-6-13(7-5-12)25(21,22)18-17-16(20)15-14(8-11-24-15)19-9-2-3-10-19/h2-11,18H,1H3,(H,17,20)
InChIKeyNNOFYAAIZIYLMX-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.17
Rot. Bonds6

About N'-(4-methoxyphenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide

N'-(4-methoxyphenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide (PubChem CID 3811926) has the molecular formula C16H15N3O4S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide
PubChem CID3811926
Molecular FormulaC16H15N3O4S2
Molecular Weight377.45 g/mol
Exact Mass377.05
IUPAC NameN'-(4-methoxyphenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide
SMILESCOc1ccc(S(=O)(=O)NNC(=O)c2sccc2-n2cccc2)cc1
InChIInChI=1S/C16H15N3O4S2/c1-23-12-4-6-13(7-5-12)25(21,22)18-17-16(20)15-14(8-11-24-15)19-9-2-3-10-19/h2-11,18H,1H3,(H,17,20)
InChIKeyNNOFYAAIZIYLMX-UHFFFAOYSA-N
XLogP2.17
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.17
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'-(4-methoxyphenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The IUPAC name of N'-(4-methoxyphenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide (CID 3811926) is N'-(4-methoxyphenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(4-methoxyphenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(4-methoxyphenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide is COc1ccc(S(=O)(=O)NNC(=O)c2sccc2-n2cccc2)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide?
The InChIKey is NNOFYAAIZIYLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S2/c1-23-12-4-6-13(7-5-12)25(21,22)18-17-16(20)15-14(8-11-24-15)19-9-2-3-10-19/h2-11,18H,1H3,(H,17,20).
What are the key properties of N'-(4-methoxyphenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide?
N'-(4-methoxyphenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide has a molecular weight of 377.45 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)sulfonyl-3-pyrrol-1-ylthiophene-2-carbohydrazide is sourced from PubChem (CID 3811926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).