N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-sulfonamide

C13H20N2O5S — CID 713213

IUPACN-(3,4,5-trimethoxyphenyl)pyrrolidine-1-sulfonamide
SMILESCOc1cc(NS(=O)(=O)N2CCCC2)cc(OC)c1OC
InChIInChI=1S/C13H20N2O5S/c1-18-11-8-10(9-12(19-2)13(11)20-3)14-21(16,17)15-6-4-5-7-15/h8-9,14H,4-7H2,1-3H3
InChIKeyWPBBSYJLTOLIPH-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.46
Rot. Bonds6

About N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-sulfonamide

N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-sulfonamide (PubChem CID 713213) has the molecular formula C13H20N2O5S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3,4,5-trimethoxyphenyl)pyrrolidine-1-sulfonamide
PubChem CID713213
Molecular FormulaC13H20N2O5S
Molecular Weight316.38 g/mol
Exact Mass316.11
IUPAC NameN-(3,4,5-trimethoxyphenyl)pyrrolidine-1-sulfonamide
SMILESCOc1cc(NS(=O)(=O)N2CCCC2)cc(OC)c1OC
InChIInChI=1S/C13H20N2O5S/c1-18-11-8-10(9-12(19-2)13(11)20-3)14-21(16,17)15-6-4-5-7-15/h8-9,14H,4-7H2,1-3H3
InChIKeyWPBBSYJLTOLIPH-UHFFFAOYSA-N
XLogP1.46
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-sulfonamide (CID 713213) is N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-sulfonamide is COc1cc(NS(=O)(=O)N2CCCC2)cc(OC)c1OC.
What is the InChIKey of N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-sulfonamide?
The InChIKey is WPBBSYJLTOLIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S/c1-18-11-8-10(9-12(19-2)13(11)20-3)14-21(16,17)15-6-4-5-7-15/h8-9,14H,4-7H2,1-3H3.
What are the key properties of N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-sulfonamide?
N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-sulfonamide has a molecular weight of 316.38 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 713213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).