4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C18H20N2O3S — CID 738960

IUPAC4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-14-4-6-15(7-5-14)18(21)19-16-8-10-17(11-9-16)24(22,23)20-12-2-3-13-20/h4-11H,2-3,12-13H2,1H3,(H,19,21)
InChIKeyRWPHEHBKDYLACW-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.03
Rot. Bonds4

About 4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 738960) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID738960
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C18H20N2O3S/c1-14-4-6-15(7-5-14)18(21)19-16-8-10-17(11-9-16)24(22,23)20-12-2-3-13-20/h4-11H,2-3,12-13H2,1H3,(H,19,21)
InChIKeyRWPHEHBKDYLACW-UHFFFAOYSA-N
XLogP3.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 738960) is 4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of 4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is RWPHEHBKDYLACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-14-4-6-15(7-5-14)18(21)19-16-8-10-17(11-9-16)24(22,23)20-12-2-3-13-20/h4-11H,2-3,12-13H2,1H3,(H,19,21).
What are the key properties of 4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 344.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 738960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).