2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide

C12H18N2O4S — CID 79686260

IUPAC2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N[C@H]2CCNC2)c1
InChIInChI=1S/C12H18N2O4S/c1-17-10-3-4-11(18-2)12(7-10)19(15,16)14-9-5-6-13-8-9/h3-4,7,9,13-14H,5-6,8H2,1-2H3/t9-/m0/s1
InChIKeyJKGPUMDTYQEQFP-VIFPVBQESA-N
MW286.35 g/mol
LogP0.34
Rot. Bonds5

About 2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide

2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 79686260) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
PubChem CID79686260
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N[C@H]2CCNC2)c1
InChIInChI=1S/C12H18N2O4S/c1-17-10-3-4-11(18-2)12(7-10)19(15,16)14-9-5-6-13-8-9/h3-4,7,9,13-14H,5-6,8H2,1-2H3/t9-/m0/s1
InChIKeyJKGPUMDTYQEQFP-VIFPVBQESA-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

2,5-dimethoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586052
2,5-dimethoxy-N-(4-methylcyclohexyl)benzenesulfonamide
CID 17377849
N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide
CID 18141546
2-bromo-5-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 124625915
3,4-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 62379889
2-fluoro-4,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686087
3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide
CID 119450739
3,5-dimethoxy-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119967317
2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960534
3-fluoro-4-methoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685240
2-methoxy-N-piperidin-4-ylbenzenesulfonamide
CID 43603348
5-chloro-4-methoxy-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707594

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide (CID 79686260) is 2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)N[C@H]2CCNC2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is JKGPUMDTYQEQFP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-17-10-3-4-11(18-2)12(7-10)19(15,16)14-9-5-6-13-8-9/h3-4,7,9,13-14H,5-6,8H2,1-2H3/t9-/m0/s1.
What are the key properties of 2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide?
2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide 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 2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 79686260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).