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

C18H20N2O4S — CID 1349637

IUPAC4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-24-16-8-4-14(5-9-16)18(21)19-15-6-10-17(11-7-15)25(22,23)20-12-2-3-13-20/h4-11H,2-3,12-13H2,1H3,(H,19,21)
InChIKeyRCCXVWUMNGREEX-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.73
Rot. Bonds5

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

4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 1349637) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID1349637
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-24-16-8-4-14(5-9-16)18(21)19-15-6-10-17(11-7-15)25(22,23)20-12-2-3-13-20/h4-11H,2-3,12-13H2,1H3,(H,19,21)
InChIKeyRCCXVWUMNGREEX-UHFFFAOYSA-N
XLogP2.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 1349637) is 4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is RCCXVWUMNGREEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-24-16-8-4-14(5-9-16)18(21)19-15-6-10-17(11-7-15)25(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-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 360.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 1349637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).