3,4-dimethoxy-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide

C14H22N2O5S — CID 110643116

IUPAC3,4-dimethoxy-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NOCCN2CCCC2)cc1OC
InChIInChI=1S/C14H22N2O5S/c1-19-13-6-5-12(11-14(13)20-2)22(17,18)15-21-10-9-16-7-3-4-8-16/h5-6,11,15H,3-4,7-10H2,1-2H3
InChIKeyIYOJXJZUOUSTBW-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.01
Rot. Bonds8

About 3,4-dimethoxy-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide

3,4-dimethoxy-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide (PubChem CID 110643116) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
PubChem CID110643116
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name3,4-dimethoxy-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NOCCN2CCCC2)cc1OC
InChIInChI=1S/C14H22N2O5S/c1-19-13-6-5-12(11-14(13)20-2)22(17,18)15-21-10-9-16-7-3-4-8-16/h5-6,11,15H,3-4,7-10H2,1-2H3
InChIKeyIYOJXJZUOUSTBW-UHFFFAOYSA-N
XLogP1.01
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 110643099
N-(2-piperidin-1-ylethoxy)-1,3-benzodioxole-5-sulfonamide
CID 110642960
3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 134148037
3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide
CID 93157622
2,5-dimethoxy-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 110642838
2-methoxy-5-(3-pyrrolidin-1-ylpropylsulfamoyl)benzamide
CID 53499321
3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402917
3,4-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 8844162
3,4-dimethoxy-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]benzenesulfonamide
CID 91957734
5-ethyl-N-(2-pyrrolidin-1-ylethoxy)thiophene-2-sulfonamide
CID 110643124
3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887427
1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 51260705

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide (CID 110643116) is 3,4-dimethoxy-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide is COc1ccc(S(=O)(=O)NOCCN2CCCC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
The InChIKey is IYOJXJZUOUSTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-19-13-6-5-12(11-14(13)20-2)22(17,18)15-21-10-9-16-7-3-4-8-16/h5-6,11,15H,3-4,7-10H2,1-2H3.
What are the key properties of 3,4-dimethoxy-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide?
3,4-dimethoxy-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide is sourced from PubChem (CID 110643116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).