2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide

C19H15NO4S2 — CID 167875203

IUPAC2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccccc2C(=O)c2ccccc2)s1
InChIInChI=1S/C19H15NO4S2/c1-13-11-12-17(25-13)26(23,24)20-19(22)16-10-6-5-9-15(16)18(21)14-7-3-2-4-8-14/h2-12H,1H3,(H,20,22)
InChIKeyYMHFZJFTAHBSEZ-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.41
Rot. Bonds5

About 2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide

2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide (PubChem CID 167875203) has the molecular formula C19H15NO4S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide.

Molecular Properties

Compound Name2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide
PubChem CID167875203
Molecular FormulaC19H15NO4S2
Molecular Weight385.47 g/mol
Exact Mass385.04
IUPAC Name2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccccc2C(=O)c2ccccc2)s1
InChIInChI=1S/C19H15NO4S2/c1-13-11-12-17(25-13)26(23,24)20-19(22)16-10-6-5-9-15(16)18(21)14-7-3-2-4-8-14/h2-12H,1H3,(H,20,22)
InChIKeyYMHFZJFTAHBSEZ-UHFFFAOYSA-N
XLogP3.41
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide?
The IUPAC name of 2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide (CID 167875203) is 2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide.
What is the SMILES notation for 2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide?
The canonical SMILES for 2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide is Cc1ccc(S(=O)(=O)NC(=O)c2ccccc2C(=O)c2ccccc2)s1.
What is the InChIKey of 2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide?
The InChIKey is YMHFZJFTAHBSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S2/c1-13-11-12-17(25-13)26(23,24)20-19(22)16-10-6-5-9-15(16)18(21)14-7-3-2-4-8-14/h2-12H,1H3,(H,20,22).
What are the key properties of 2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide?
2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide has a molecular weight of 385.47 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-(5-methylthiophen-2-yl)sulfonylbenzamide is sourced from PubChem (CID 167875203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).