N'-(4-fluorophenyl)sulfonyl-3-hydroxybenzohydrazide

C13H11FN2O4S — CID 809438

IUPACN'-(4-fluorophenyl)sulfonyl-3-hydroxybenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(F)cc1)c1cccc(O)c1
InChIInChI=1S/C13H11FN2O4S/c14-10-4-6-12(7-5-10)21(19,20)16-15-13(18)9-2-1-3-11(17)8-9/h1-8,16-17H,(H,15,18)
InChIKeyBLRCWULMNZFWQI-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.15
Rot. Bonds4

About N'-(4-fluorophenyl)sulfonyl-3-hydroxybenzohydrazide

N'-(4-fluorophenyl)sulfonyl-3-hydroxybenzohydrazide (PubChem CID 809438) has the molecular formula C13H11FN2O4S and a molecular weight of 310.31 g/mol. Its IUPAC name is N'-(4-fluorophenyl)sulfonyl-3-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)sulfonyl-3-hydroxybenzohydrazide
PubChem CID809438
Molecular FormulaC13H11FN2O4S
Molecular Weight310.31 g/mol
Exact Mass310.04
IUPAC NameN'-(4-fluorophenyl)sulfonyl-3-hydroxybenzohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(F)cc1)c1cccc(O)c1
InChIInChI=1S/C13H11FN2O4S/c14-10-4-6-12(7-5-10)21(19,20)16-15-13(18)9-2-1-3-11(17)8-9/h1-8,16-17H,(H,15,18)
InChIKeyBLRCWULMNZFWQI-UHFFFAOYSA-N
XLogP1.15
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.15
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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Related Compounds

N'-(4-Fluoro-5-methyl-[1,1'-biphenyl]-3-carbonyl)-3-hydroxybenzenesulfonohydrazide
CID 134581412
N'-(benzenesulfonyl)-2-fluoro-5-propan-2-yloxybenzohydrazide
CID 124132116
N'-(benzenesulfonyl)-2-fluoro-5-prop-2-enoxybenzohydrazide
CID 124132119
3-ethoxy-5-fluoro-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 124132125
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-prop-2-enoxybenzohydrazide
CID 124132126
N'-(benzenesulfonyl)-5-ethoxy-2-fluorobenzohydrazide
CID 124132131
N'-(2-fluorophenyl)sulfonyl-3-(2-methylpropoxy)benzohydrazide
CID 124132177
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-propoxybenzohydrazide
CID 124132208
3-ethoxy-N'-(2-fluorophenyl)sulfonylbenzohydrazide
CID 124132210
N'-(2-fluorophenyl)sulfonyl-3-propan-2-yloxybenzohydrazide
CID 124132213
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-propan-2-yloxybenzohydrazide
CID 135298590
N'-(2-fluorophenyl)sulfonyl-3-(trifluoromethoxy)benzohydrazide
CID 135298592

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)sulfonyl-3-hydroxybenzohydrazide?
The IUPAC name of N'-(4-fluorophenyl)sulfonyl-3-hydroxybenzohydrazide (CID 809438) is N'-(4-fluorophenyl)sulfonyl-3-hydroxybenzohydrazide.
What is the SMILES notation for N'-(4-fluorophenyl)sulfonyl-3-hydroxybenzohydrazide?
The canonical SMILES for N'-(4-fluorophenyl)sulfonyl-3-hydroxybenzohydrazide is O=C(NNS(=O)(=O)c1ccc(F)cc1)c1cccc(O)c1.
What is the InChIKey of N'-(4-fluorophenyl)sulfonyl-3-hydroxybenzohydrazide?
The InChIKey is BLRCWULMNZFWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4S/c14-10-4-6-12(7-5-10)21(19,20)16-15-13(18)9-2-1-3-11(17)8-9/h1-8,16-17H,(H,15,18).
What are the key properties of N'-(4-fluorophenyl)sulfonyl-3-hydroxybenzohydrazide?
N'-(4-fluorophenyl)sulfonyl-3-hydroxybenzohydrazide has a molecular weight of 310.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)sulfonyl-3-hydroxybenzohydrazide is sourced from PubChem (CID 809438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).