5-(4-bromophenyl)-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide

C19H15BrN2O4S2 — CID 38633334

IUPAC5-(4-bromophenyl)-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide
SMILESCS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(Br)cc3)s2)cc1
InChIInChI=1S/C19H15BrN2O4S2/c1-28(25,26)15-8-4-13(5-9-15)18(23)21-22-19(24)17-11-10-16(27-17)12-2-6-14(20)7-3-12/h2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyKUXAGYGMGQJIHA-UHFFFAOYSA-N
MW479.38 g/mol
LogP3.66
Rot. Bonds4

About 5-(4-bromophenyl)-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide

5-(4-bromophenyl)-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide (PubChem CID 38633334) has the molecular formula C19H15BrN2O4S2 and a molecular weight of 479.38 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide
PubChem CID38633334
Molecular FormulaC19H15BrN2O4S2
Molecular Weight479.38 g/mol
Exact Mass477.97
IUPAC Name5-(4-bromophenyl)-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide
SMILESCS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(Br)cc3)s2)cc1
InChIInChI=1S/C19H15BrN2O4S2/c1-28(25,26)15-8-4-13(5-9-15)18(23)21-22-19(24)17-11-10-16(27-17)12-2-6-14(20)7-3-12/h2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyKUXAGYGMGQJIHA-UHFFFAOYSA-N
XLogP3.66
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.38
LogP ≤ 53.66
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-bromophenyl)-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide?
The IUPAC name of 5-(4-bromophenyl)-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide (CID 38633334) is 5-(4-bromophenyl)-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide.
What is the SMILES notation for 5-(4-bromophenyl)-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide?
The canonical SMILES for 5-(4-bromophenyl)-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide is CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(Br)cc3)s2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide?
The InChIKey is KUXAGYGMGQJIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O4S2/c1-28(25,26)15-8-4-13(5-9-15)18(23)21-22-19(24)17-11-10-16(27-17)12-2-6-14(20)7-3-12/h2-11H,1H3,(H,21,23)(H,22,24).
What are the key properties of 5-(4-bromophenyl)-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide?
5-(4-bromophenyl)-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide has a molecular weight of 479.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N'-(4-methylsulfonylbenzoyl)thiophene-2-carbohydrazide is sourced from PubChem (CID 38633334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).