N'-(benzenesulfonyl)-N-(6-methoxypyrimidin-4-yl)benzenecarboximidamide

C18H16N4O3S — CID 2202994

IUPACN'-(benzenesulfonyl)-N-(6-methoxypyrimidin-4-yl)benzenecarboximidamide
SMILESCOc1cc(NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)ncn1
InChIInChI=1S/C18H16N4O3S/c1-25-17-12-16(19-13-20-17)21-18(14-8-4-2-5-9-14)22-26(23,24)15-10-6-3-7-11-15/h2-13H,1H3,(H,19,20,21,22)
InChIKeyMZSJWXZUCNGFOQ-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.73
Rot. Bonds5

About N'-(benzenesulfonyl)-N-(6-methoxypyrimidin-4-yl)benzenecarboximidamide

N'-(benzenesulfonyl)-N-(6-methoxypyrimidin-4-yl)benzenecarboximidamide (PubChem CID 2202994) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-N-(6-methoxypyrimidin-4-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-N-(6-methoxypyrimidin-4-yl)benzenecarboximidamide
PubChem CID2202994
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC NameN'-(benzenesulfonyl)-N-(6-methoxypyrimidin-4-yl)benzenecarboximidamide
SMILESCOc1cc(NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)ncn1
InChIInChI=1S/C18H16N4O3S/c1-25-17-12-16(19-13-20-17)21-18(14-8-4-2-5-9-14)22-26(23,24)15-10-6-3-7-11-15/h2-13H,1H3,(H,19,20,21,22)
InChIKeyMZSJWXZUCNGFOQ-UHFFFAOYSA-N
XLogP2.73
TPSA93.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(6-methoxypyrimidin-4-yl)benzenecarboximidamide?
The IUPAC name of N'-(benzenesulfonyl)-N-(6-methoxypyrimidin-4-yl)benzenecarboximidamide (CID 2202994) is N'-(benzenesulfonyl)-N-(6-methoxypyrimidin-4-yl)benzenecarboximidamide.
What is the SMILES notation for N'-(benzenesulfonyl)-N-(6-methoxypyrimidin-4-yl)benzenecarboximidamide?
The canonical SMILES for N'-(benzenesulfonyl)-N-(6-methoxypyrimidin-4-yl)benzenecarboximidamide is COc1cc(NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)ncn1.
What is the InChIKey of N'-(benzenesulfonyl)-N-(6-methoxypyrimidin-4-yl)benzenecarboximidamide?
The InChIKey is MZSJWXZUCNGFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-25-17-12-16(19-13-20-17)21-18(14-8-4-2-5-9-14)22-26(23,24)15-10-6-3-7-11-15/h2-13H,1H3,(H,19,20,21,22).
What are the key properties of N'-(benzenesulfonyl)-N-(6-methoxypyrimidin-4-yl)benzenecarboximidamide?
N'-(benzenesulfonyl)-N-(6-methoxypyrimidin-4-yl)benzenecarboximidamide has a molecular weight of 368.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-N-(6-methoxypyrimidin-4-yl)benzenecarboximidamide is sourced from PubChem (CID 2202994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).