N'-(4-bromophenyl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonohydrazide

C14H10BrF2N3O3S — CID 127027129

IUPACN'-(4-bromophenyl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonohydrazide
SMILESO=C1Nc2ccc(S(=O)(=O)NNc3ccc(Br)cc3)cc2C1(F)F
InChIInChI=1S/C14H10BrF2N3O3S/c15-8-1-3-9(4-2-8)19-20-24(22,23)10-5-6-12-11(7-10)14(16,17)13(21)18-12/h1-7,19-20H,(H,18,21)
InChIKeyINRDSDRIVSDSPB-UHFFFAOYSA-N
MW418.22 g/mol
LogP2.80
Rot. Bonds4

About N'-(4-bromophenyl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonohydrazide

N'-(4-bromophenyl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonohydrazide (PubChem CID 127027129) has the molecular formula C14H10BrF2N3O3S and a molecular weight of 418.22 g/mol. Its IUPAC name is N'-(4-bromophenyl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonohydrazide.

Molecular Properties

Compound NameN'-(4-bromophenyl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonohydrazide
PubChem CID127027129
Molecular FormulaC14H10BrF2N3O3S
Molecular Weight418.22 g/mol
Exact Mass416.96
IUPAC NameN'-(4-bromophenyl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonohydrazide
SMILESO=C1Nc2ccc(S(=O)(=O)NNc3ccc(Br)cc3)cc2C1(F)F
InChIInChI=1S/C14H10BrF2N3O3S/c15-8-1-3-9(4-2-8)19-20-24(22,23)10-5-6-12-11(7-10)14(16,17)13(21)18-12/h1-7,19-20H,(H,18,21)
InChIKeyINRDSDRIVSDSPB-UHFFFAOYSA-N
XLogP2.80
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.22
LogP ≤ 52.80
H-Bond Donors ≤ 53
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 N'-(4-bromophenyl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonohydrazide?
The IUPAC name of N'-(4-bromophenyl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonohydrazide (CID 127027129) is N'-(4-bromophenyl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonohydrazide.
What is the SMILES notation for N'-(4-bromophenyl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonohydrazide?
The canonical SMILES for N'-(4-bromophenyl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonohydrazide is O=C1Nc2ccc(S(=O)(=O)NNc3ccc(Br)cc3)cc2C1(F)F.
What is the InChIKey of N'-(4-bromophenyl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonohydrazide?
The InChIKey is INRDSDRIVSDSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2N3O3S/c15-8-1-3-9(4-2-8)19-20-24(22,23)10-5-6-12-11(7-10)14(16,17)13(21)18-12/h1-7,19-20H,(H,18,21).
What are the key properties of N'-(4-bromophenyl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonohydrazide?
N'-(4-bromophenyl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonohydrazide has a molecular weight of 418.22 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-3,3-difluoro-2-oxo-1H-indole-5-sulfonohydrazide is sourced from PubChem (CID 127027129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).