N-(3-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide

C18H20N2O4S — CID 1164167

IUPACN-(3-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C18H20N2O4S/c1-24-16-6-4-5-15(13-16)19-18(21)14-7-9-17(10-8-14)25(22,23)20-11-2-3-12-20/h4-10,13H,2-3,11-12H2,1H3,(H,19,21)
InChIKeyODXQTQYRZZIIJY-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.73
Rot. Bonds5

About N-(3-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(3-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 1164167) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID1164167
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-(3-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C18H20N2O4S/c1-24-16-6-4-5-15(13-16)19-18(21)14-7-9-17(10-8-14)25(22,23)20-11-2-3-12-20/h4-10,13H,2-3,11-12H2,1H3,(H,19,21)
InChIKeyODXQTQYRZZIIJY-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 N-(3-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 1164167) is N-(3-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide is COc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is ODXQTQYRZZIIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-24-16-6-4-5-15(13-16)19-18(21)14-7-9-17(10-8-14)25(22,23)20-11-2-3-12-20/h4-10,13H,2-3,11-12H2,1H3,(H,19,21).
What are the key properties of N-(3-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(3-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide 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 N-(3-methoxyphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1164167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).