N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-propan-2-yloxybenzohydrazide

C17H19FN2O4S — CID 135298580

IUPACN'-(benzenesulfonyl)-2-fluoro-3-methyl-5-propan-2-yloxybenzohydrazide
SMILESCc1cc(OC(C)C)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C17H19FN2O4S/c1-11(2)24-13-9-12(3)16(18)15(10-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h4-11,20H,1-3H3,(H,19,21)
InChIKeyREQXSAOLNCUPGK-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.54
Rot. Bonds6

About N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-propan-2-yloxybenzohydrazide

N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-propan-2-yloxybenzohydrazide (PubChem CID 135298580) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-2-fluoro-3-methyl-5-propan-2-yloxybenzohydrazide
PubChem CID135298580
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC NameN'-(benzenesulfonyl)-2-fluoro-3-methyl-5-propan-2-yloxybenzohydrazide
SMILESCc1cc(OC(C)C)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F
InChIInChI=1S/C17H19FN2O4S/c1-11(2)24-13-9-12(3)16(18)15(10-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h4-11,20H,1-3H3,(H,19,21)
InChIKeyREQXSAOLNCUPGK-UHFFFAOYSA-N
XLogP2.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.54
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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Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-propan-2-yloxybenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-propan-2-yloxybenzohydrazide (CID 135298580) is N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-propan-2-yloxybenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-propan-2-yloxybenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-propan-2-yloxybenzohydrazide is Cc1cc(OC(C)C)cc(C(=O)NNS(=O)(=O)c2ccccc2)c1F.
What is the InChIKey of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-propan-2-yloxybenzohydrazide?
The InChIKey is REQXSAOLNCUPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-11(2)24-13-9-12(3)16(18)15(10-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h4-11,20H,1-3H3,(H,19,21).
What are the key properties of N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-propan-2-yloxybenzohydrazide?
N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-propan-2-yloxybenzohydrazide has a molecular weight of 366.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-2-fluoro-3-methyl-5-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 135298580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).