6-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide

C17H22N4O4S — CID 154757700

IUPAC6-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide
SMILESCOc1cc(OC)cc(N2CCC(Nc3ccc(S(N)(=O)=O)cn3)C2)c1
InChIInChI=1S/C17H22N4O4S/c1-24-14-7-13(8-15(9-14)25-2)21-6-5-12(11-21)20-17-4-3-16(10-19-17)26(18,22)23/h3-4,7-10,12H,5-6,11H2,1-2H3,(H,19,20)(H2,18,22,23)
InChIKeyGNMYGSAMNXXVGY-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.44
Rot. Bonds6

About 6-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide

6-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide (PubChem CID 154757700) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 6-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide
PubChem CID154757700
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name6-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide
SMILESCOc1cc(OC)cc(N2CCC(Nc3ccc(S(N)(=O)=O)cn3)C2)c1
InChIInChI=1S/C17H22N4O4S/c1-24-14-7-13(8-15(9-14)25-2)21-6-5-12(11-21)20-17-4-3-16(10-19-17)26(18,22)23/h3-4,7-10,12H,5-6,11H2,1-2H3,(H,19,20)(H2,18,22,23)
InChIKeyGNMYGSAMNXXVGY-UHFFFAOYSA-N
XLogP1.44
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide?
The IUPAC name of 6-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide (CID 154757700) is 6-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide?
The canonical SMILES for 6-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide is COc1cc(OC)cc(N2CCC(Nc3ccc(S(N)(=O)=O)cn3)C2)c1.
What is the InChIKey of 6-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide?
The InChIKey is GNMYGSAMNXXVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-24-14-7-13(8-15(9-14)25-2)21-6-5-12(11-21)20-17-4-3-16(10-19-17)26(18,22)23/h3-4,7-10,12H,5-6,11H2,1-2H3,(H,19,20)(H2,18,22,23).
What are the key properties of 6-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide?
6-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide has a molecular weight of 378.45 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]pyridine-3-sulfonamide is sourced from PubChem (CID 154757700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).