N-(benzenesulfonyl)-N'-propan-2-ylbenzenecarboximidamide

C16H18N2O2S — CID 547260

IUPACN-(benzenesulfonyl)-N'-propan-2-ylbenzenecarboximidamide
SMILESCC(C)/N=C(/NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-13(2)17-16(14-9-5-3-6-10-14)18-21(19,20)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,17,18)
InChIKeyBAALPOGJZHVSAR-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.82
Rot. Bonds4

About N-(benzenesulfonyl)-N'-propan-2-ylbenzenecarboximidamide

N-(benzenesulfonyl)-N'-propan-2-ylbenzenecarboximidamide (PubChem CID 547260) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N'-propan-2-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N'-propan-2-ylbenzenecarboximidamide
PubChem CID547260
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(benzenesulfonyl)-N'-propan-2-ylbenzenecarboximidamide
SMILESCC(C)/N=C(/NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-13(2)17-16(14-9-5-3-6-10-14)18-21(19,20)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,17,18)
InChIKeyBAALPOGJZHVSAR-UHFFFAOYSA-N
XLogP2.82
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.82
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'-propan-2-ylbenzenecarboximidamide?
The IUPAC name of N-(benzenesulfonyl)-N'-propan-2-ylbenzenecarboximidamide (CID 547260) is N-(benzenesulfonyl)-N'-propan-2-ylbenzenecarboximidamide.
What is the SMILES notation for N-(benzenesulfonyl)-N'-propan-2-ylbenzenecarboximidamide?
The canonical SMILES for N-(benzenesulfonyl)-N'-propan-2-ylbenzenecarboximidamide is CC(C)/N=C(/NS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N'-propan-2-ylbenzenecarboximidamide?
The InChIKey is BAALPOGJZHVSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-13(2)17-16(14-9-5-3-6-10-14)18-21(19,20)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,17,18).
What are the key properties of N-(benzenesulfonyl)-N'-propan-2-ylbenzenecarboximidamide?
N-(benzenesulfonyl)-N'-propan-2-ylbenzenecarboximidamide has a molecular weight of 302.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N'-propan-2-ylbenzenecarboximidamide is sourced from PubChem (CID 547260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).