N'-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-fluorobenzohydrazide

C15H14BrFN2O5S — CID 27658205

IUPACN'-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-fluorobenzohydrazide
SMILESCOc1cc(Br)c(S(=O)(=O)NNC(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C15H14BrFN2O5S/c1-23-12-7-10(16)14(8-13(12)24-2)25(21,22)19-18-15(20)9-5-3-4-6-11(9)17/h3-8,19H,1-2H3,(H,18,20)
InChIKeyFJNGEWLQGFWPJK-UHFFFAOYSA-N
MW433.26 g/mol
LogP2.23
Rot. Bonds6

About N'-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-fluorobenzohydrazide

N'-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-fluorobenzohydrazide (PubChem CID 27658205) has the molecular formula C15H14BrFN2O5S and a molecular weight of 433.26 g/mol. Its IUPAC name is N'-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-fluorobenzohydrazide
PubChem CID27658205
Molecular FormulaC15H14BrFN2O5S
Molecular Weight433.26 g/mol
Exact Mass431.98
IUPAC NameN'-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-fluorobenzohydrazide
SMILESCOc1cc(Br)c(S(=O)(=O)NNC(=O)c2ccccc2F)cc1OC
InChIInChI=1S/C15H14BrFN2O5S/c1-23-12-7-10(16)14(8-13(12)24-2)25(21,22)19-18-15(20)9-5-3-4-6-11(9)17/h3-8,19H,1-2H3,(H,18,20)
InChIKeyFJNGEWLQGFWPJK-UHFFFAOYSA-N
XLogP2.23
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.26
LogP ≤ 52.23
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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Related Compounds

2-fluoro-N'-(2,3,4,5,6-pentamethylphenyl)sulfonylbenzohydrazide
CID 8523929
N'-(2,5-dichlorothiophen-3-yl)sulfonyl-2-fluorobenzohydrazide
CID 29099080
N'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide
CID 921091
N'-(5-bromo-2-methoxyphenyl)sulfonylbenzohydrazide
CID 26966791
5-[(E)-3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxoprop-1-enyl]-2-methoxybenzenesulfonamide
CID 47035309
N-[5-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 30668145
N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide
CID 2086520
N'-(2-methoxyphenyl)sulfonylbenzohydrazide
CID 51170282
2-bromo-N-(2,6-dimethylphenyl)-4,5-dimethoxybenzenesulfonamide
CID 27658198
2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 707198
2-bromo-4,5-dimethoxy-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 9185824
2-bromo-4,5-dimethoxy-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 9185826

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-fluorobenzohydrazide?
The IUPAC name of N'-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-fluorobenzohydrazide (CID 27658205) is N'-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-fluorobenzohydrazide.
What is the SMILES notation for N'-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-fluorobenzohydrazide?
The canonical SMILES for N'-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-fluorobenzohydrazide is COc1cc(Br)c(S(=O)(=O)NNC(=O)c2ccccc2F)cc1OC.
What is the InChIKey of N'-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-fluorobenzohydrazide?
The InChIKey is FJNGEWLQGFWPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O5S/c1-23-12-7-10(16)14(8-13(12)24-2)25(21,22)19-18-15(20)9-5-3-4-6-11(9)17/h3-8,19H,1-2H3,(H,18,20).
What are the key properties of N'-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-fluorobenzohydrazide?
N'-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-fluorobenzohydrazide has a molecular weight of 433.26 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-2-fluorobenzohydrazide is sourced from PubChem (CID 27658205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).