N-benzhydryl-3-methylsulfonylbenzamide

C21H19NO3S — CID 2713432

IUPACN-benzhydryl-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H19NO3S/c1-26(24,25)19-14-8-13-18(15-19)21(23)22-20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-15,20H,1H3,(H,22,23)
InChIKeyHSJHNFCIVCZYQE-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.61
Rot. Bonds5

About N-benzhydryl-3-methylsulfonylbenzamide

N-benzhydryl-3-methylsulfonylbenzamide (PubChem CID 2713432) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-benzhydryl-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzhydryl-3-methylsulfonylbenzamide
PubChem CID2713432
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC NameN-benzhydryl-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H19NO3S/c1-26(24,25)19-14-8-13-18(15-19)21(23)22-20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-15,20H,1H3,(H,22,23)
InChIKeyHSJHNFCIVCZYQE-UHFFFAOYSA-N
XLogP3.61
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-methylsulfonylbenzamide?
The IUPAC name of N-benzhydryl-3-methylsulfonylbenzamide (CID 2713432) is N-benzhydryl-3-methylsulfonylbenzamide.
What is the SMILES notation for N-benzhydryl-3-methylsulfonylbenzamide?
The canonical SMILES for N-benzhydryl-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-benzhydryl-3-methylsulfonylbenzamide?
The InChIKey is HSJHNFCIVCZYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-26(24,25)19-14-8-13-18(15-19)21(23)22-20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-15,20H,1H3,(H,22,23).
What are the key properties of N-benzhydryl-3-methylsulfonylbenzamide?
N-benzhydryl-3-methylsulfonylbenzamide has a molecular weight of 365.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-methylsulfonylbenzamide is sourced from PubChem (CID 2713432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).