N'-(benzenesulfonyl)-N-naphthalen-1-ylbenzenecarboximidamide

C23H18N2O2S — CID 6518613

IUPACN'-(benzenesulfonyl)-N-naphthalen-1-ylbenzenecarboximidamide
SMILESO=S(=O)(/N=C(\Nc1cccc2ccccc12)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18N2O2S/c26-28(27,20-14-5-2-6-15-20)25-23(19-11-3-1-4-12-19)24-22-17-9-13-18-10-7-8-16-21(18)22/h1-17H,(H,24,25)
InChIKeyRMMGGMXYRLDWQD-UHFFFAOYSA-N
MW386.48 g/mol
LogP5.09
Rot. Bonds4

About N'-(benzenesulfonyl)-N-naphthalen-1-ylbenzenecarboximidamide

N'-(benzenesulfonyl)-N-naphthalen-1-ylbenzenecarboximidamide (PubChem CID 6518613) has the molecular formula C23H18N2O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-N-naphthalen-1-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-N-naphthalen-1-ylbenzenecarboximidamide
PubChem CID6518613
Molecular FormulaC23H18N2O2S
Molecular Weight386.48 g/mol
Exact Mass386.11
IUPAC NameN'-(benzenesulfonyl)-N-naphthalen-1-ylbenzenecarboximidamide
SMILESO=S(=O)(/N=C(\Nc1cccc2ccccc12)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18N2O2S/c26-28(27,20-14-5-2-6-15-20)25-23(19-11-3-1-4-12-19)24-22-17-9-13-18-10-7-8-16-21(18)22/h1-17H,(H,24,25)
InChIKeyRMMGGMXYRLDWQD-UHFFFAOYSA-N
XLogP5.09
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.48
LogP ≤ 55.09
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-naphthalen-1-ylbenzenecarboximidamide?
The IUPAC name of N'-(benzenesulfonyl)-N-naphthalen-1-ylbenzenecarboximidamide (CID 6518613) is N'-(benzenesulfonyl)-N-naphthalen-1-ylbenzenecarboximidamide.
What is the SMILES notation for N'-(benzenesulfonyl)-N-naphthalen-1-ylbenzenecarboximidamide?
The canonical SMILES for N'-(benzenesulfonyl)-N-naphthalen-1-ylbenzenecarboximidamide is O=S(=O)(/N=C(\Nc1cccc2ccccc12)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)-N-naphthalen-1-ylbenzenecarboximidamide?
The InChIKey is RMMGGMXYRLDWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2S/c26-28(27,20-14-5-2-6-15-20)25-23(19-11-3-1-4-12-19)24-22-17-9-13-18-10-7-8-16-21(18)22/h1-17H,(H,24,25).
What are the key properties of N'-(benzenesulfonyl)-N-naphthalen-1-ylbenzenecarboximidamide?
N'-(benzenesulfonyl)-N-naphthalen-1-ylbenzenecarboximidamide has a molecular weight of 386.48 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-N-naphthalen-1-ylbenzenecarboximidamide is sourced from PubChem (CID 6518613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).