2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide

C18H20N2O4S — CID 4881669

IUPAC2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H20N2O4S/c1-24-17-10-3-2-9-16(17)18(21)19-14-7-6-8-15(13-14)25(22,23)20-11-4-5-12-20/h2-3,6-10,13H,4-5,11-12H2,1H3,(H,19,21)
InChIKeyFZRPCGBVBMYTTI-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.73
Rot. Bonds5

About 2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide

2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 4881669) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID4881669
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1ccccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H20N2O4S/c1-24-17-10-3-2-9-16(17)18(21)19-14-7-6-8-15(13-14)25(22,23)20-11-4-5-12-20/h2-3,6-10,13H,4-5,11-12H2,1H3,(H,19,21)
InChIKeyFZRPCGBVBMYTTI-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 2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 4881669) is 2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide is COc1ccccc1C(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is FZRPCGBVBMYTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-24-17-10-3-2-9-16(17)18(21)19-14-7-6-8-15(13-14)25(22,23)20-11-4-5-12-20/h2-3,6-10,13H,4-5,11-12H2,1H3,(H,19,21).
What are the key properties of 2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide?
2-methoxy-N-(3-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 2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 4881669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).