N-(benzenesulfonyl)-N'-benzyl-2-fluorobenzenecarboximidamide

C20H17FN2O2S — CID 2946972

IUPACN-(benzenesulfonyl)-N'-benzyl-2-fluorobenzenecarboximidamide
SMILESO=S(=O)(N/C(=N\Cc1ccccc1)c1ccccc1F)c1ccccc1
InChIInChI=1S/C20H17FN2O2S/c21-19-14-8-7-13-18(19)20(22-15-16-9-3-1-4-10-16)23-26(24,25)17-11-5-2-6-12-17/h1-14H,15H2,(H,22,23)
InChIKeyISNVDHJPZNBGBO-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.75
Rot. Bonds5

About N-(benzenesulfonyl)-N'-benzyl-2-fluorobenzenecarboximidamide

N-(benzenesulfonyl)-N'-benzyl-2-fluorobenzenecarboximidamide (PubChem CID 2946972) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N'-benzyl-2-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N'-benzyl-2-fluorobenzenecarboximidamide
PubChem CID2946972
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC NameN-(benzenesulfonyl)-N'-benzyl-2-fluorobenzenecarboximidamide
SMILESO=S(=O)(N/C(=N\Cc1ccccc1)c1ccccc1F)c1ccccc1
InChIInChI=1S/C20H17FN2O2S/c21-19-14-8-7-13-18(19)20(22-15-16-9-3-1-4-10-16)23-26(24,25)17-11-5-2-6-12-17/h1-14H,15H2,(H,22,23)
InChIKeyISNVDHJPZNBGBO-UHFFFAOYSA-N
XLogP3.75
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.75
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-(benzenesulfonyl)-N'-benzyl-2-fluorobenzenecarboximidamide?
The IUPAC name of N-(benzenesulfonyl)-N'-benzyl-2-fluorobenzenecarboximidamide (CID 2946972) is N-(benzenesulfonyl)-N'-benzyl-2-fluorobenzenecarboximidamide.
What is the SMILES notation for N-(benzenesulfonyl)-N'-benzyl-2-fluorobenzenecarboximidamide?
The canonical SMILES for N-(benzenesulfonyl)-N'-benzyl-2-fluorobenzenecarboximidamide is O=S(=O)(N/C(=N\Cc1ccccc1)c1ccccc1F)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N'-benzyl-2-fluorobenzenecarboximidamide?
The InChIKey is ISNVDHJPZNBGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c21-19-14-8-7-13-18(19)20(22-15-16-9-3-1-4-10-16)23-26(24,25)17-11-5-2-6-12-17/h1-14H,15H2,(H,22,23).
What are the key properties of N-(benzenesulfonyl)-N'-benzyl-2-fluorobenzenecarboximidamide?
N-(benzenesulfonyl)-N'-benzyl-2-fluorobenzenecarboximidamide has a molecular weight of 368.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N'-benzyl-2-fluorobenzenecarboximidamide is sourced from PubChem (CID 2946972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).