4,5-dibromo-N'-(4-methylphenyl)sulfonylthiophene-2-carbohydrazide

C12H10Br2N2O3S2 — CID 19205161

IUPAC4,5-dibromo-N'-(4-methylphenyl)sulfonylthiophene-2-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C12H10Br2N2O3S2/c1-7-2-4-8(5-3-7)21(18,19)16-15-12(17)10-6-9(13)11(14)20-10/h2-6,16H,1H3,(H,15,17)
InChIKeyUEDYHTURKDTHKP-UHFFFAOYSA-N
MW454.17 g/mol
LogP3.20
Rot. Bonds4

About 4,5-dibromo-N'-(4-methylphenyl)sulfonylthiophene-2-carbohydrazide

4,5-dibromo-N'-(4-methylphenyl)sulfonylthiophene-2-carbohydrazide (PubChem CID 19205161) has the molecular formula C12H10Br2N2O3S2 and a molecular weight of 454.17 g/mol. Its IUPAC name is 4,5-dibromo-N'-(4-methylphenyl)sulfonylthiophene-2-carbohydrazide.

Molecular Properties

Compound Name4,5-dibromo-N'-(4-methylphenyl)sulfonylthiophene-2-carbohydrazide
PubChem CID19205161
Molecular FormulaC12H10Br2N2O3S2
Molecular Weight454.17 g/mol
Exact Mass451.85
IUPAC Name4,5-dibromo-N'-(4-methylphenyl)sulfonylthiophene-2-carbohydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)c2cc(Br)c(Br)s2)cc1
InChIInChI=1S/C12H10Br2N2O3S2/c1-7-2-4-8(5-3-7)21(18,19)16-15-12(17)10-6-9(13)11(14)20-10/h2-6,16H,1H3,(H,15,17)
InChIKeyUEDYHTURKDTHKP-UHFFFAOYSA-N
XLogP3.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.17
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4,5-dibromo-N'-(4-methylphenyl)sulfonylthiophene-2-carbohydrazide?
The IUPAC name of 4,5-dibromo-N'-(4-methylphenyl)sulfonylthiophene-2-carbohydrazide (CID 19205161) is 4,5-dibromo-N'-(4-methylphenyl)sulfonylthiophene-2-carbohydrazide.
What is the SMILES notation for 4,5-dibromo-N'-(4-methylphenyl)sulfonylthiophene-2-carbohydrazide?
The canonical SMILES for 4,5-dibromo-N'-(4-methylphenyl)sulfonylthiophene-2-carbohydrazide is Cc1ccc(S(=O)(=O)NNC(=O)c2cc(Br)c(Br)s2)cc1.
What is the InChIKey of 4,5-dibromo-N'-(4-methylphenyl)sulfonylthiophene-2-carbohydrazide?
The InChIKey is UEDYHTURKDTHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O3S2/c1-7-2-4-8(5-3-7)21(18,19)16-15-12(17)10-6-9(13)11(14)20-10/h2-6,16H,1H3,(H,15,17).
What are the key properties of 4,5-dibromo-N'-(4-methylphenyl)sulfonylthiophene-2-carbohydrazide?
4,5-dibromo-N'-(4-methylphenyl)sulfonylthiophene-2-carbohydrazide has a molecular weight of 454.17 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N'-(4-methylphenyl)sulfonylthiophene-2-carbohydrazide is sourced from PubChem (CID 19205161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).