4-[2-[(4-aminophenyl)sulfonylmethyl]phenyl]benzamide

C20H18N2O3S — CID 170161061

IUPAC4-[2-[(4-aminophenyl)sulfonylmethyl]phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccccc2CS(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C20H18N2O3S/c21-17-9-11-18(12-10-17)26(24,25)13-16-3-1-2-4-19(16)14-5-7-15(8-6-14)20(22)23/h1-12H,13,21H2,(H2,22,23)
InChIKeyFYDZVAFMQDUIOQ-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.01
Rot. Bonds5

About 4-[2-[(4-aminophenyl)sulfonylmethyl]phenyl]benzamide

4-[2-[(4-aminophenyl)sulfonylmethyl]phenyl]benzamide (PubChem CID 170161061) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-[2-[(4-aminophenyl)sulfonylmethyl]phenyl]benzamide.

Molecular Properties

Compound Name4-[2-[(4-aminophenyl)sulfonylmethyl]phenyl]benzamide
PubChem CID170161061
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name4-[2-[(4-aminophenyl)sulfonylmethyl]phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccccc2CS(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C20H18N2O3S/c21-17-9-11-18(12-10-17)26(24,25)13-16-3-1-2-4-19(16)14-5-7-15(8-6-14)20(22)23/h1-12H,13,21H2,(H2,22,23)
InChIKeyFYDZVAFMQDUIOQ-UHFFFAOYSA-N
XLogP3.01
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-aminophenyl)sulfonylmethyl]phenyl]benzamide?
The IUPAC name of 4-[2-[(4-aminophenyl)sulfonylmethyl]phenyl]benzamide (CID 170161061) is 4-[2-[(4-aminophenyl)sulfonylmethyl]phenyl]benzamide.
What is the SMILES notation for 4-[2-[(4-aminophenyl)sulfonylmethyl]phenyl]benzamide?
The canonical SMILES for 4-[2-[(4-aminophenyl)sulfonylmethyl]phenyl]benzamide is NC(=O)c1ccc(-c2ccccc2CS(=O)(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[2-[(4-aminophenyl)sulfonylmethyl]phenyl]benzamide?
The InChIKey is FYDZVAFMQDUIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c21-17-9-11-18(12-10-17)26(24,25)13-16-3-1-2-4-19(16)14-5-7-15(8-6-14)20(22)23/h1-12H,13,21H2,(H2,22,23).
What are the key properties of 4-[2-[(4-aminophenyl)sulfonylmethyl]phenyl]benzamide?
4-[2-[(4-aminophenyl)sulfonylmethyl]phenyl]benzamide has a molecular weight of 366.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-aminophenyl)sulfonylmethyl]phenyl]benzamide is sourced from PubChem (CID 170161061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).