3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-propan-2-yloxybenzohydrazide

C16H16F2N2O4S — CID 135298590

IUPAC3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-propan-2-yloxybenzohydrazide
SMILESCC(C)Oc1cc(F)cc(C(=O)NNS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C16H16F2N2O4S/c1-10(2)24-13-8-11(7-12(17)9-13)16(21)19-20-25(22,23)15-6-4-3-5-14(15)18/h3-10,20H,1-2H3,(H,19,21)
InChIKeyRNGKKKVQPWMBOG-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.38
Rot. Bonds6

About 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-propan-2-yloxybenzohydrazide

3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-propan-2-yloxybenzohydrazide (PubChem CID 135298590) has the molecular formula C16H16F2N2O4S and a molecular weight of 370.38 g/mol. Its IUPAC name is 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound Name3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-propan-2-yloxybenzohydrazide
PubChem CID135298590
Molecular FormulaC16H16F2N2O4S
Molecular Weight370.38 g/mol
Exact Mass370.08
IUPAC Name3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-propan-2-yloxybenzohydrazide
SMILESCC(C)Oc1cc(F)cc(C(=O)NNS(=O)(=O)c2ccccc2F)c1
InChIInChI=1S/C16H16F2N2O4S/c1-10(2)24-13-8-11(7-12(17)9-13)16(21)19-20-25(22,23)15-6-4-3-5-14(15)18/h3-10,20H,1-2H3,(H,19,21)
InChIKeyRNGKKKVQPWMBOG-UHFFFAOYSA-N
XLogP2.38
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.38
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

5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide
CID 124132130
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide
CID 124132195
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide
CID 135298580
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide
CID 135298625
5-ethoxy-2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
CID 146014942
N'-(3-fluorobenzoyl)-3-methoxybenzohydrazide
CID 790093
N'-(4-fluorophenyl)sulfonyl-3-hydroxybenzohydrazide
CID 809438
N'-(4-fluorophenyl)sulfonyl-2-methoxybenzohydrazide
CID 809441
N-(4-ethoxybenzenesulfonyl)benzamide
CID 972596
4-fluoro-N'-[2-(2-fluorophenoxy)acetyl]-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2545591
N'-phenylsulfonyl-4-methoxybenzohydrazide
CID 795528
N'-(benzenesulfonyl)-3-propoxybenzohydrazide
CID 124132112

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-propan-2-yloxybenzohydrazide?
The IUPAC name of 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-propan-2-yloxybenzohydrazide (CID 135298590) is 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-propan-2-yloxybenzohydrazide.
What is the SMILES notation for 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-propan-2-yloxybenzohydrazide?
The canonical SMILES for 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-propan-2-yloxybenzohydrazide is CC(C)Oc1cc(F)cc(C(=O)NNS(=O)(=O)c2ccccc2F)c1.
What is the InChIKey of 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-propan-2-yloxybenzohydrazide?
The InChIKey is RNGKKKVQPWMBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O4S/c1-10(2)24-13-8-11(7-12(17)9-13)16(21)19-20-25(22,23)15-6-4-3-5-14(15)18/h3-10,20H,1-2H3,(H,19,21).
What are the key properties of 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-propan-2-yloxybenzohydrazide?
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-propan-2-yloxybenzohydrazide has a molecular weight of 370.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 135298590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).