N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide

C21H20N2O3S — CID 3545567

IUPACN-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C21H20N2O3S/c1-16-11-13-18(14-12-16)27(25,26)23-20-10-6-5-9-19(20)21(24)22-15-17-7-3-2-4-8-17/h2-14,23H,15H2,1H3,(H,22,24)
InChIKeyASKBFNKCMLTGPX-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.73
Rot. Bonds6

About N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide

N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 3545567) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID3545567
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C21H20N2O3S/c1-16-11-13-18(14-12-16)27(25,26)23-20-10-6-5-9-19(20)21(24)22-15-17-7-3-2-4-8-17/h2-14,23H,15H2,1H3,(H,22,24)
InChIKeyASKBFNKCMLTGPX-UHFFFAOYSA-N
XLogP3.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide (CID 3545567) is N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is ASKBFNKCMLTGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-16-11-13-18(14-12-16)27(25,26)23-20-10-6-5-9-19(20)21(24)22-15-17-7-3-2-4-8-17/h2-14,23H,15H2,1H3,(H,22,24).
What are the key properties of N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide?
N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 380.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 3545567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).