N'-(4,6-dimethyl-3-methylsulfonyl-2-pyridinyl)-2,6-difluoro-N'-methylbenzohydrazide

C16H17F2N3O3S — CID 1475689

IUPACN'-(4,6-dimethyl-3-methylsulfonyl-2-pyridinyl)-2,6-difluoro-N'-methylbenzohydrazide
SMILESCc1cc(C)c(S(C)(=O)=O)c(N(C)NC(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C16H17F2N3O3S/c1-9-8-10(2)19-15(14(9)25(4,23)24)21(3)20-16(22)13-11(17)6-5-7-12(13)18/h5-8H,1-4H3,(H,20,22)
InChIKeyACWHJLLNWWRENW-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.16
Rot. Bonds4

About N'-(4,6-dimethyl-3-methylsulfonyl-2-pyridinyl)-2,6-difluoro-N'-methylbenzohydrazide

N'-(4,6-dimethyl-3-methylsulfonyl-2-pyridinyl)-2,6-difluoro-N'-methylbenzohydrazide (PubChem CID 1475689) has the molecular formula C16H17F2N3O3S and a molecular weight of 369.39 g/mol. Its IUPAC name is N'-(4,6-dimethyl-3-methylsulfonyl-2-pyridinyl)-2,6-difluoro-N'-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethyl-3-methylsulfonyl-2-pyridinyl)-2,6-difluoro-N'-methylbenzohydrazide
PubChem CID1475689
Molecular FormulaC16H17F2N3O3S
Molecular Weight369.39 g/mol
Exact Mass369.10
IUPAC NameN'-(4,6-dimethyl-3-methylsulfonyl-2-pyridinyl)-2,6-difluoro-N'-methylbenzohydrazide
SMILESCc1cc(C)c(S(C)(=O)=O)c(N(C)NC(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C16H17F2N3O3S/c1-9-8-10(2)19-15(14(9)25(4,23)24)21(3)20-16(22)13-11(17)6-5-7-12(13)18/h5-8H,1-4H3,(H,20,22)
InChIKeyACWHJLLNWWRENW-UHFFFAOYSA-N
XLogP2.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-(4,6-dimethyl-3-methylsulfonyl-2-pyridinyl)-2,6-difluoro-N'-methylbenzohydrazide?
The IUPAC name of N'-(4,6-dimethyl-3-methylsulfonyl-2-pyridinyl)-2,6-difluoro-N'-methylbenzohydrazide (CID 1475689) is N'-(4,6-dimethyl-3-methylsulfonyl-2-pyridinyl)-2,6-difluoro-N'-methylbenzohydrazide.
What is the SMILES notation for N'-(4,6-dimethyl-3-methylsulfonyl-2-pyridinyl)-2,6-difluoro-N'-methylbenzohydrazide?
The canonical SMILES for N'-(4,6-dimethyl-3-methylsulfonyl-2-pyridinyl)-2,6-difluoro-N'-methylbenzohydrazide is Cc1cc(C)c(S(C)(=O)=O)c(N(C)NC(=O)c2c(F)cccc2F)n1.
What is the InChIKey of N'-(4,6-dimethyl-3-methylsulfonyl-2-pyridinyl)-2,6-difluoro-N'-methylbenzohydrazide?
The InChIKey is ACWHJLLNWWRENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3S/c1-9-8-10(2)19-15(14(9)25(4,23)24)21(3)20-16(22)13-11(17)6-5-7-12(13)18/h5-8H,1-4H3,(H,20,22).
What are the key properties of N'-(4,6-dimethyl-3-methylsulfonyl-2-pyridinyl)-2,6-difluoro-N'-methylbenzohydrazide?
N'-(4,6-dimethyl-3-methylsulfonyl-2-pyridinyl)-2,6-difluoro-N'-methylbenzohydrazide has a molecular weight of 369.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethyl-3-methylsulfonyl-2-pyridinyl)-2,6-difluoro-N'-methylbenzohydrazide is sourced from PubChem (CID 1475689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).