N'-(benzenesulfonyl)-N-(2,4-difluorophenyl)benzenecarboximidamide

C19H14F2N2O2S — CID 3652838

IUPACN'-(benzenesulfonyl)-N-(2,4-difluorophenyl)benzenecarboximidamide
SMILESO=S(=O)(N=C(Nc1ccc(F)cc1F)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H14F2N2O2S/c20-15-11-12-18(17(21)13-15)22-19(14-7-3-1-4-8-14)23-26(24,25)16-9-5-2-6-10-16/h1-13H,(H,22,23)
InChIKeyLNRLYLOKSQTKBM-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.21
Rot. Bonds4

About N'-(benzenesulfonyl)-N-(2,4-difluorophenyl)benzenecarboximidamide

N'-(benzenesulfonyl)-N-(2,4-difluorophenyl)benzenecarboximidamide (PubChem CID 3652838) has the molecular formula C19H14F2N2O2S and a molecular weight of 372.40 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-N-(2,4-difluorophenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-N-(2,4-difluorophenyl)benzenecarboximidamide
PubChem CID3652838
Molecular FormulaC19H14F2N2O2S
Molecular Weight372.40 g/mol
Exact Mass372.07
IUPAC NameN'-(benzenesulfonyl)-N-(2,4-difluorophenyl)benzenecarboximidamide
SMILESO=S(=O)(N=C(Nc1ccc(F)cc1F)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H14F2N2O2S/c20-15-11-12-18(17(21)13-15)22-19(14-7-3-1-4-8-14)23-26(24,25)16-9-5-2-6-10-16/h1-13H,(H,22,23)
InChIKeyLNRLYLOKSQTKBM-UHFFFAOYSA-N
XLogP4.21
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-(benzenesulfonyl)-N-(2,4-difluorophenyl)benzenecarboximidamide?
The IUPAC name of N'-(benzenesulfonyl)-N-(2,4-difluorophenyl)benzenecarboximidamide (CID 3652838) is N'-(benzenesulfonyl)-N-(2,4-difluorophenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(benzenesulfonyl)-N-(2,4-difluorophenyl)benzenecarboximidamide?
The canonical SMILES for N'-(benzenesulfonyl)-N-(2,4-difluorophenyl)benzenecarboximidamide is O=S(=O)(N=C(Nc1ccc(F)cc1F)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)-N-(2,4-difluorophenyl)benzenecarboximidamide?
The InChIKey is LNRLYLOKSQTKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O2S/c20-15-11-12-18(17(21)13-15)22-19(14-7-3-1-4-8-14)23-26(24,25)16-9-5-2-6-10-16/h1-13H,(H,22,23).
What are the key properties of N'-(benzenesulfonyl)-N-(2,4-difluorophenyl)benzenecarboximidamide?
N'-(benzenesulfonyl)-N-(2,4-difluorophenyl)benzenecarboximidamide has a molecular weight of 372.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-N-(2,4-difluorophenyl)benzenecarboximidamide is sourced from PubChem (CID 3652838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).