2-fluoro-N'-(3-hydroxyphenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide

C20H17FN2O4S — CID 134581412

IUPAC2-fluoro-N'-(3-hydroxyphenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide
SMILESCc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)c2cccc(O)c2)c1F
InChIInChI=1S/C20H17FN2O4S/c1-13-10-15(14-6-3-2-4-7-14)11-18(19(13)21)20(25)22-23-28(26,27)17-9-5-8-16(24)12-17/h2-12,23-24H,1H3,(H,22,25)
InChIKeyKVJFJJXCBRSCDY-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.13
Rot. Bonds5

About 2-fluoro-N'-(3-hydroxyphenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide

2-fluoro-N'-(3-hydroxyphenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide (PubChem CID 134581412) has the molecular formula C20H17FN2O4S and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-fluoro-N'-(3-hydroxyphenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-(3-hydroxyphenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide
PubChem CID134581412
Molecular FormulaC20H17FN2O4S
Molecular Weight400.43 g/mol
Exact Mass400.09
IUPAC Name2-fluoro-N'-(3-hydroxyphenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide
SMILESCc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)c2cccc(O)c2)c1F
InChIInChI=1S/C20H17FN2O4S/c1-13-10-15(14-6-3-2-4-7-14)11-18(19(13)21)20(25)22-23-28(26,27)17-9-5-8-16(24)12-17/h2-12,23-24H,1H3,(H,22,25)
InChIKeyKVJFJJXCBRSCDY-UHFFFAOYSA-N
XLogP3.13
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.13
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 2-fluoro-N'-(3-hydroxyphenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide?
The IUPAC name of 2-fluoro-N'-(3-hydroxyphenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide (CID 134581412) is 2-fluoro-N'-(3-hydroxyphenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide.
What is the SMILES notation for 2-fluoro-N'-(3-hydroxyphenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide?
The canonical SMILES for 2-fluoro-N'-(3-hydroxyphenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide is Cc1cc(-c2ccccc2)cc(C(=O)NNS(=O)(=O)c2cccc(O)c2)c1F.
What is the InChIKey of 2-fluoro-N'-(3-hydroxyphenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide?
The InChIKey is KVJFJJXCBRSCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4S/c1-13-10-15(14-6-3-2-4-7-14)11-18(19(13)21)20(25)22-23-28(26,27)17-9-5-8-16(24)12-17/h2-12,23-24H,1H3,(H,22,25).
What are the key properties of 2-fluoro-N'-(3-hydroxyphenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide?
2-fluoro-N'-(3-hydroxyphenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide has a molecular weight of 400.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-(3-hydroxyphenyl)sulfonyl-3-methyl-5-phenylbenzohydrazide is sourced from PubChem (CID 134581412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).