3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide

C12H18N2O4S — CID 62379889

IUPAC3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCNC2)cc1OC
InChIInChI=1S/C12H18N2O4S/c1-17-11-4-3-10(7-12(11)18-2)19(15,16)14-9-5-6-13-8-9/h3-4,7,9,13-14H,5-6,8H2,1-2H3
InChIKeyWSEDPUNPDKHUAE-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.34
Rot. Bonds5

About 3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide

3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 62379889) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID62379889
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCNC2)cc1OC
InChIInChI=1S/C12H18N2O4S/c1-17-11-4-3-10(7-12(11)18-2)19(15,16)14-9-5-6-13-8-9/h3-4,7,9,13-14H,5-6,8H2,1-2H3
InChIKeyWSEDPUNPDKHUAE-UHFFFAOYSA-N
XLogP0.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-methoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685240
3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982668
3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967317
3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960633
2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686260
3-bromo-4-ethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967107
4-methoxy-3-nitro-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982546
4-methoxy-3-nitro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723780
2-fluoro-4,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686087
2-methoxy-5-(piperidin-4-ylsulfamoyl)benzoic acid
CID 61403148
3-methoxy-4-nitro-N-piperidin-4-ylbenzenesulfonamide
CID 119960491
3,4-dimethoxy-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545216

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide (CID 62379889) is 3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCNC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is WSEDPUNPDKHUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-17-11-4-3-10(7-12(11)18-2)19(15,16)14-9-5-6-13-8-9/h3-4,7,9,13-14H,5-6,8H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide?
3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 286.35 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 62379889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).