4-[2-(butylsulfonylamino)-4-methylphenoxy]benzenecarboximidamide

C18H23N3O3S — CID 155518019

IUPAC4-[2-(butylsulfonylamino)-4-methylphenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(C)cc2NS(=O)(=O)CCCC)cc1
InChIInChI=1S/C18H23N3O3S/c1-3-4-11-25(22,23)21-16-12-13(2)5-10-17(16)24-15-8-6-14(7-9-15)18(19)20/h5-10,12,21H,3-4,11H2,1-2H3,(H3,19,20)
InChIKeyCMZUCZDGFCLQSH-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.61
Rot. Bonds8

About 4-[2-(butylsulfonylamino)-4-methylphenoxy]benzenecarboximidamide

4-[2-(butylsulfonylamino)-4-methylphenoxy]benzenecarboximidamide (PubChem CID 155518019) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-[2-(butylsulfonylamino)-4-methylphenoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(butylsulfonylamino)-4-methylphenoxy]benzenecarboximidamide
PubChem CID155518019
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name4-[2-(butylsulfonylamino)-4-methylphenoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(C)cc2NS(=O)(=O)CCCC)cc1
InChIInChI=1S/C18H23N3O3S/c1-3-4-11-25(22,23)21-16-12-13(2)5-10-17(16)24-15-8-6-14(7-9-15)18(19)20/h5-10,12,21H,3-4,11H2,1-2H3,(H3,19,20)
InChIKeyCMZUCZDGFCLQSH-UHFFFAOYSA-N
XLogP3.61
TPSA105.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.61
H-Bond Donors ≤ 53
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 4-[2-(butylsulfonylamino)-4-methylphenoxy]benzenecarboximidamide?
The IUPAC name of 4-[2-(butylsulfonylamino)-4-methylphenoxy]benzenecarboximidamide (CID 155518019) is 4-[2-(butylsulfonylamino)-4-methylphenoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[2-(butylsulfonylamino)-4-methylphenoxy]benzenecarboximidamide?
The canonical SMILES for 4-[2-(butylsulfonylamino)-4-methylphenoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(C)cc2NS(=O)(=O)CCCC)cc1.
What is the InChIKey of 4-[2-(butylsulfonylamino)-4-methylphenoxy]benzenecarboximidamide?
The InChIKey is CMZUCZDGFCLQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-3-4-11-25(22,23)21-16-12-13(2)5-10-17(16)24-15-8-6-14(7-9-15)18(19)20/h5-10,12,21H,3-4,11H2,1-2H3,(H3,19,20).
What are the key properties of 4-[2-(butylsulfonylamino)-4-methylphenoxy]benzenecarboximidamide?
4-[2-(butylsulfonylamino)-4-methylphenoxy]benzenecarboximidamide has a molecular weight of 361.47 g/mol, XLogP of 3.61, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(butylsulfonylamino)-4-methylphenoxy]benzenecarboximidamide is sourced from PubChem (CID 155518019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).