N-(3-hydroxyphenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide

C20H18N2O3S — CID 2872807

IUPACN-(3-hydroxyphenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)N=C(Nc2cccc(O)c2)c2ccccc2)cc1
InChIInChI=1S/C20H18N2O3S/c1-15-10-12-19(13-11-15)26(24,25)22-20(16-6-3-2-4-7-16)21-17-8-5-9-18(23)14-17/h2-14,23H,1H3,(H,21,22)
InChIKeyJIBSUPQPIXCLBS-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.95
Rot. Bonds4

About N-(3-hydroxyphenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide

N-(3-hydroxyphenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide (PubChem CID 2872807) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
PubChem CID2872807
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-(3-hydroxyphenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)N=C(Nc2cccc(O)c2)c2ccccc2)cc1
InChIInChI=1S/C20H18N2O3S/c1-15-10-12-19(13-11-15)26(24,25)22-20(16-6-3-2-4-7-16)21-17-8-5-9-18(23)14-17/h2-14,23H,1H3,(H,21,22)
InChIKeyJIBSUPQPIXCLBS-UHFFFAOYSA-N
XLogP3.95
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
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-(3-hydroxyphenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The IUPAC name of N-(3-hydroxyphenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide (CID 2872807) is N-(3-hydroxyphenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The canonical SMILES for N-(3-hydroxyphenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide is Cc1ccc(S(=O)(=O)N=C(Nc2cccc(O)c2)c2ccccc2)cc1.
What is the InChIKey of N-(3-hydroxyphenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The InChIKey is JIBSUPQPIXCLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-15-10-12-19(13-11-15)26(24,25)22-20(16-6-3-2-4-7-16)21-17-8-5-9-18(23)14-17/h2-14,23H,1H3,(H,21,22).
What are the key properties of N-(3-hydroxyphenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide?
N-(3-hydroxyphenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide has a molecular weight of 366.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 2872807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).