N-(2,4-difluorophenyl)sulfonyl-N'-methylbenzenecarboximidamide

C14H12F2N2O2S — CID 3583091

IUPACN-(2,4-difluorophenyl)sulfonyl-N'-methylbenzenecarboximidamide
SMILESC/N=C(/NS(=O)(=O)c1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C14H12F2N2O2S/c1-17-14(10-5-3-2-4-6-10)18-21(19,20)13-8-7-11(15)9-12(13)16/h2-9H,1H3,(H,17,18)
InChIKeyLTXOJIUVEFQMDC-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.32
Rot. Bonds3

About N-(2,4-difluorophenyl)sulfonyl-N'-methylbenzenecarboximidamide

N-(2,4-difluorophenyl)sulfonyl-N'-methylbenzenecarboximidamide (PubChem CID 3583091) has the molecular formula C14H12F2N2O2S and a molecular weight of 310.33 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)sulfonyl-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)sulfonyl-N'-methylbenzenecarboximidamide
PubChem CID3583091
Molecular FormulaC14H12F2N2O2S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC NameN-(2,4-difluorophenyl)sulfonyl-N'-methylbenzenecarboximidamide
SMILESC/N=C(/NS(=O)(=O)c1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C14H12F2N2O2S/c1-17-14(10-5-3-2-4-6-10)18-21(19,20)13-8-7-11(15)9-12(13)16/h2-9H,1H3,(H,17,18)
InChIKeyLTXOJIUVEFQMDC-UHFFFAOYSA-N
XLogP2.32
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)sulfonyl-N'-methylbenzenecarboximidamide?
The IUPAC name of N-(2,4-difluorophenyl)sulfonyl-N'-methylbenzenecarboximidamide (CID 3583091) is N-(2,4-difluorophenyl)sulfonyl-N'-methylbenzenecarboximidamide.
What is the SMILES notation for N-(2,4-difluorophenyl)sulfonyl-N'-methylbenzenecarboximidamide?
The canonical SMILES for N-(2,4-difluorophenyl)sulfonyl-N'-methylbenzenecarboximidamide is C/N=C(/NS(=O)(=O)c1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of N-(2,4-difluorophenyl)sulfonyl-N'-methylbenzenecarboximidamide?
The InChIKey is LTXOJIUVEFQMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2S/c1-17-14(10-5-3-2-4-6-10)18-21(19,20)13-8-7-11(15)9-12(13)16/h2-9H,1H3,(H,17,18).
What are the key properties of N-(2,4-difluorophenyl)sulfonyl-N'-methylbenzenecarboximidamide?
N-(2,4-difluorophenyl)sulfonyl-N'-methylbenzenecarboximidamide has a molecular weight of 310.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)sulfonyl-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 3583091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).