N-benzyl-4-methylsulfonyl-N-phenylbenzamide

C21H19NO3S — CID 4787525

IUPACN-benzyl-4-methylsulfonyl-N-phenylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO3S/c1-26(24,25)20-14-12-18(13-15-20)21(23)22(19-10-6-3-7-11-19)16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
InChIKeyKDDVHTXKSMAIRD-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.94
Rot. Bonds5

About N-benzyl-4-methylsulfonyl-N-phenylbenzamide

N-benzyl-4-methylsulfonyl-N-phenylbenzamide (PubChem CID 4787525) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-benzyl-4-methylsulfonyl-N-phenylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-methylsulfonyl-N-phenylbenzamide
PubChem CID4787525
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC NameN-benzyl-4-methylsulfonyl-N-phenylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO3S/c1-26(24,25)20-14-12-18(13-15-20)21(23)22(19-10-6-3-7-11-19)16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
InChIKeyKDDVHTXKSMAIRD-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-4-methylsulfonyl-N-phenylbenzamide?
The IUPAC name of N-benzyl-4-methylsulfonyl-N-phenylbenzamide (CID 4787525) is N-benzyl-4-methylsulfonyl-N-phenylbenzamide.
What is the SMILES notation for N-benzyl-4-methylsulfonyl-N-phenylbenzamide?
The canonical SMILES for N-benzyl-4-methylsulfonyl-N-phenylbenzamide is CS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-methylsulfonyl-N-phenylbenzamide?
The InChIKey is KDDVHTXKSMAIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-26(24,25)20-14-12-18(13-15-20)21(23)22(19-10-6-3-7-11-19)16-17-8-4-2-5-9-17/h2-15H,16H2,1H3.
What are the key properties of N-benzyl-4-methylsulfonyl-N-phenylbenzamide?
N-benzyl-4-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-4-methylsulfonyl-N-phenylbenzamide is sourced from PubChem (CID 4787525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).