3,4-dimethoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

C20H24N2O5S — CID 2217849

IUPAC3,4-dimethoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCC3)cc2)cc1OC
InChIInChI=1S/C20H24N2O5S/c1-21(28(24,25)17-10-11-18(26-2)19(14-17)27-3)16-8-6-15(7-9-16)20(23)22-12-4-5-13-22/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyVUPSQZZKERISRH-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.76
Rot. Bonds6

About 3,4-dimethoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

3,4-dimethoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 2217849) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 3,4-dimethoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID2217849
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name3,4-dimethoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCC3)cc2)cc1OC
InChIInChI=1S/C20H24N2O5S/c1-21(28(24,25)17-10-11-18(26-2)19(14-17)27-3)16-8-6-15(7-9-16)20(23)22-12-4-5-13-22/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyVUPSQZZKERISRH-UHFFFAOYSA-N
XLogP2.76
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (CID 2217849) is 3,4-dimethoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCC3)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is VUPSQZZKERISRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-21(28(24,25)17-10-11-18(26-2)19(14-17)27-3)16-8-6-15(7-9-16)20(23)22-12-4-5-13-22/h6-11,14H,4-5,12-13H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
3,4-dimethoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 404.49 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2217849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).