2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C18H20N2O5S2 — CID 2461859

IUPAC2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H20N2O5S2/c1-26(22,23)17-7-3-2-6-16(17)18(21)19-14-8-10-15(11-9-14)27(24,25)20-12-4-5-13-20/h2-3,6-11H,4-5,12-13H2,1H3,(H,19,21)
InChIKeySMSHRUUGPPRJQF-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.13
Rot. Bonds5

About 2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 2461859) has the molecular formula C18H20N2O5S2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID2461859
Molecular FormulaC18H20N2O5S2
Molecular Weight408.50 g/mol
Exact Mass408.08
IUPAC Name2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H20N2O5S2/c1-26(22,23)17-7-3-2-6-16(17)18(21)19-14-8-10-15(11-9-14)27(24,25)20-12-4-5-13-20/h2-3,6-11H,4-5,12-13H2,1H3,(H,19,21)
InChIKeySMSHRUUGPPRJQF-UHFFFAOYSA-N
XLogP2.13
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 2461859) is 2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is SMSHRUUGPPRJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S2/c1-26(22,23)17-7-3-2-6-16(17)18(21)19-14-8-10-15(11-9-14)27(24,25)20-12-4-5-13-20/h2-3,6-11H,4-5,12-13H2,1H3,(H,19,21).
What are the key properties of 2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 408.50 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 2461859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).