N'-(3-bromophenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide

C14H12BrFN2O4S — CID 8506063

IUPACN'-(3-bromophenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide
SMILESO=C(COc1cccc(F)c1)NNS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C14H12BrFN2O4S/c15-10-3-1-6-13(7-10)23(20,21)18-17-14(19)9-22-12-5-2-4-11(16)8-12/h1-8,18H,9H2,(H,17,19)
InChIKeyCTZUTFUOYZJVFL-UHFFFAOYSA-N
MW403.23 g/mol
LogP1.98
Rot. Bonds6

About N'-(3-bromophenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide

N'-(3-bromophenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide (PubChem CID 8506063) has the molecular formula C14H12BrFN2O4S and a molecular weight of 403.23 g/mol. Its IUPAC name is N'-(3-bromophenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-(3-bromophenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide
PubChem CID8506063
Molecular FormulaC14H12BrFN2O4S
Molecular Weight403.23 g/mol
Exact Mass401.97
IUPAC NameN'-(3-bromophenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide
SMILESO=C(COc1cccc(F)c1)NNS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C14H12BrFN2O4S/c15-10-3-1-6-13(7-10)23(20,21)18-17-14(19)9-22-12-5-2-4-11(16)8-12/h1-8,18H,9H2,(H,17,19)
InChIKeyCTZUTFUOYZJVFL-UHFFFAOYSA-N
XLogP1.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.23
LogP ≤ 51.98
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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Related Compounds

2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide
CID 8505982
N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
CID 8505734
N'-(4-ethylphenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide
CID 9236694
2-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide
CID 8506094
2-(2,5-dimethylphenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide
CID 8614158
N-(4-bromo-2-chlorophenyl)-2-(3-fluorophenoxy)acetamide
CID 8863320
N,N-diethyl-3-[[[2-(3-fluorophenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 2709558
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
2-(3-fluorophenoxy)-N-propan-2-ylacetamide
CID 60626005
N'-[2-(3-fluorophenoxy)acetyl]-2-(2-fluorophenyl)acetohydrazide
CID 2670466
N-(2-bromoprop-2-enyl)-2-(3-fluorophenoxy)acetamide
CID 115594649
2-(3-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7935362

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromophenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide?
The IUPAC name of N'-(3-bromophenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide (CID 8506063) is N'-(3-bromophenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide.
What is the SMILES notation for N'-(3-bromophenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide?
The canonical SMILES for N'-(3-bromophenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide is O=C(COc1cccc(F)c1)NNS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of N'-(3-bromophenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide?
The InChIKey is CTZUTFUOYZJVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O4S/c15-10-3-1-6-13(7-10)23(20,21)18-17-14(19)9-22-12-5-2-4-11(16)8-12/h1-8,18H,9H2,(H,17,19).
What are the key properties of N'-(3-bromophenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide?
N'-(3-bromophenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide has a molecular weight of 403.23 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromophenyl)sulfonyl-2-(3-fluorophenoxy)acetohydrazide is sourced from PubChem (CID 8506063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).