N-benzyl-2-methylsulfonyl-N-phenylbenzamide

C21H19NO3S — CID 8892628

IUPACN-benzyl-2-methylsulfonyl-N-phenylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO3S/c1-26(24,25)20-15-9-8-14-19(20)21(23)22(18-12-6-3-7-13-18)16-17-10-4-2-5-11-17/h2-15H,16H2,1H3
InChIKeyONKXTQWTNUGHTK-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.94
Rot. Bonds5

About N-benzyl-2-methylsulfonyl-N-phenylbenzamide

N-benzyl-2-methylsulfonyl-N-phenylbenzamide (PubChem CID 8892628) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-benzyl-2-methylsulfonyl-N-phenylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-methylsulfonyl-N-phenylbenzamide
PubChem CID8892628
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC NameN-benzyl-2-methylsulfonyl-N-phenylbenzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO3S/c1-26(24,25)20-15-9-8-14-19(20)21(23)22(18-12-6-3-7-13-18)16-17-10-4-2-5-11-17/h2-15H,16H2,1H3
InChIKeyONKXTQWTNUGHTK-UHFFFAOYSA-N
XLogP3.94
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methylsulfonyl-N-phenylbenzamide?
The IUPAC name of N-benzyl-2-methylsulfonyl-N-phenylbenzamide (CID 8892628) is N-benzyl-2-methylsulfonyl-N-phenylbenzamide.
What is the SMILES notation for N-benzyl-2-methylsulfonyl-N-phenylbenzamide?
The canonical SMILES for N-benzyl-2-methylsulfonyl-N-phenylbenzamide is CS(=O)(=O)c1ccccc1C(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-methylsulfonyl-N-phenylbenzamide?
The InChIKey is ONKXTQWTNUGHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-26(24,25)20-15-9-8-14-19(20)21(23)22(18-12-6-3-7-13-18)16-17-10-4-2-5-11-17/h2-15H,16H2,1H3.
What are the key properties of N-benzyl-2-methylsulfonyl-N-phenylbenzamide?
N-benzyl-2-methylsulfonyl-N-phenylbenzamide has a molecular weight of 365.45 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methylsulfonyl-N-phenylbenzamide is sourced from PubChem (CID 8892628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).