N-[(4-aminophenyl)sulfonylmethyl]-4-phenylbenzamide

C20H18N2O3S — CID 157028404

IUPACN-[(4-aminophenyl)sulfonylmethyl]-4-phenylbenzamide
SMILESNc1ccc(S(=O)(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C20H18N2O3S/c21-18-10-12-19(13-11-18)26(24,25)14-22-20(23)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14,21H2,(H,22,23)
InChIKeyURDMCMILUKYWTG-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.10
Rot. Bonds5

About N-[(4-aminophenyl)sulfonylmethyl]-4-phenylbenzamide

N-[(4-aminophenyl)sulfonylmethyl]-4-phenylbenzamide (PubChem CID 157028404) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[(4-aminophenyl)sulfonylmethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)sulfonylmethyl]-4-phenylbenzamide
PubChem CID157028404
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-[(4-aminophenyl)sulfonylmethyl]-4-phenylbenzamide
SMILESNc1ccc(S(=O)(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C20H18N2O3S/c21-18-10-12-19(13-11-18)26(24,25)14-22-20(23)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14,21H2,(H,22,23)
InChIKeyURDMCMILUKYWTG-UHFFFAOYSA-N
XLogP3.10
TPSA89.26 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 ≤ 53.10
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 N-[(4-aminophenyl)sulfonylmethyl]-4-phenylbenzamide?
The IUPAC name of N-[(4-aminophenyl)sulfonylmethyl]-4-phenylbenzamide (CID 157028404) is N-[(4-aminophenyl)sulfonylmethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[(4-aminophenyl)sulfonylmethyl]-4-phenylbenzamide?
The canonical SMILES for N-[(4-aminophenyl)sulfonylmethyl]-4-phenylbenzamide is Nc1ccc(S(=O)(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[(4-aminophenyl)sulfonylmethyl]-4-phenylbenzamide?
The InChIKey is URDMCMILUKYWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c21-18-10-12-19(13-11-18)26(24,25)14-22-20(23)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14,21H2,(H,22,23).
What are the key properties of N-[(4-aminophenyl)sulfonylmethyl]-4-phenylbenzamide?
N-[(4-aminophenyl)sulfonylmethyl]-4-phenylbenzamide has a molecular weight of 366.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)sulfonylmethyl]-4-phenylbenzamide is sourced from PubChem (CID 157028404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).