N'-methyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenecarboximidamide

C18H21N3O3S — CID 4855270

IUPACN'-methyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenecarboximidamide
SMILESC/N=C(/Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C18H21N3O3S/c1-19-18(15-6-3-2-4-7-15)20-16-8-5-9-17(14-16)25(22,23)21-10-12-24-13-11-21/h2-9,14H,10-13H2,1H3,(H,19,20)
InChIKeyYPPJRLSYDJOQMK-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.20
Rot. Bonds4

About N'-methyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenecarboximidamide

N'-methyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenecarboximidamide (PubChem CID 4855270) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N'-methyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-methyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenecarboximidamide
PubChem CID4855270
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN'-methyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenecarboximidamide
SMILESC/N=C(/Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C18H21N3O3S/c1-19-18(15-6-3-2-4-7-15)20-16-8-5-9-17(14-16)25(22,23)21-10-12-24-13-11-21/h2-9,14H,10-13H2,1H3,(H,19,20)
InChIKeyYPPJRLSYDJOQMK-UHFFFAOYSA-N
XLogP2.20
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-methyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenecarboximidamide?
The IUPAC name of N'-methyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenecarboximidamide (CID 4855270) is N'-methyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenecarboximidamide.
What is the SMILES notation for N'-methyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenecarboximidamide?
The canonical SMILES for N'-methyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenecarboximidamide is C/N=C(/Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1.
What is the InChIKey of N'-methyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenecarboximidamide?
The InChIKey is YPPJRLSYDJOQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-19-18(15-6-3-2-4-7-15)20-16-8-5-9-17(14-16)25(22,23)21-10-12-24-13-11-21/h2-9,14H,10-13H2,1H3,(H,19,20).
What are the key properties of N'-methyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenecarboximidamide?
N'-methyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenecarboximidamide has a molecular weight of 359.45 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3-morpholin-4-ylsulfonylphenyl)benzenecarboximidamide is sourced from PubChem (CID 4855270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).