2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide

C13H20N2O5S2 — CID 110312115

IUPAC2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C13H20N2O5S2/c1-20-9-10-21(16,17)14-12-5-4-6-13(11-12)22(18,19)15-7-2-3-8-15/h4-6,11,14H,2-3,7-10H2,1H3
InChIKeyZCXIIJPUUZKSNQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.86
Rot. Bonds7

About 2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide

2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide (PubChem CID 110312115) has the molecular formula C13H20N2O5S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide
PubChem CID110312115
Molecular FormulaC13H20N2O5S2
Molecular Weight348.45 g/mol
Exact Mass348.08
IUPAC Name2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C13H20N2O5S2/c1-20-9-10-21(16,17)14-12-5-4-6-13(11-12)22(18,19)15-7-2-3-8-15/h4-6,11,14H,2-3,7-10H2,1H3
InChIKeyZCXIIJPUUZKSNQ-UHFFFAOYSA-N
XLogP0.86
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide
CID 110633307
N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 7996091
N-[3-(azepan-1-ylsulfonyl)phenyl]benzenesulfonamide
CID 2919639
3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 71903183
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxyethanesulfonamide
CID 7498951
N-(3-piperidin-1-ylsulfonylphenyl)formamide
CID 168654481
5-methoxy-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]pentanamide
CID 60621896
2-methoxy-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759835
1-methyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea
CID 4086118
3-[(3-pyrrolidin-1-ylsulfonylphenyl)sulfamoyl]benzoate
CID 8015545
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
2-ethoxy-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 35728244

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide?
The IUPAC name of 2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide (CID 110312115) is 2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide is COCCS(=O)(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide?
The InChIKey is ZCXIIJPUUZKSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5S2/c1-20-9-10-21(16,17)14-12-5-4-6-13(11-12)22(18,19)15-7-2-3-8-15/h4-6,11,14H,2-3,7-10H2,1H3.
What are the key properties of 2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide?
2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide has a molecular weight of 348.45 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanesulfonamide is sourced from PubChem (CID 110312115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).