2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide

C13H18N2O4S — CID 64598036

IUPAC2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCOCC1CCN(C(=O)c2ccccc2S(N)(=O)=O)C1
InChIInChI=1S/C13H18N2O4S/c1-19-9-10-6-7-15(8-10)13(16)11-4-2-3-5-12(11)20(14,17)18/h2-5,10H,6-9H2,1H3,(H2,14,17,18)
InChIKeyOHDUMPIALNITBQ-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.44
Rot. Bonds4

About 2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide

2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide (PubChem CID 64598036) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide
PubChem CID64598036
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCOCC1CCN(C(=O)c2ccccc2S(N)(=O)=O)C1
InChIInChI=1S/C13H18N2O4S/c1-19-9-10-6-7-15(8-10)13(16)11-4-2-3-5-12(11)20(14,17)18/h2-5,10H,6-9H2,1H3,(H2,14,17,18)
InChIKeyOHDUMPIALNITBQ-UHFFFAOYSA-N
XLogP0.44
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(methoxymethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 106588207
(2,3-dihydroxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 114344445
2-fluoro-5-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 64723144
(3-bromo-2-methylphenyl)-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 97054377
[3-(methoxymethyl)pyrrolidin-1-yl]-[2-(propan-2-ylamino)phenyl]methanone
CID 64599208
(2-hydroxy-3-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64599551
2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-3,6-dimethylbenzoic acid
CID 103429118
2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-4-methylbenzenesulfonyl chloride
CID 65455445
(2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63980357
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
[(3S)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 95782192
2-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 119483296

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide (CID 64598036) is 2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide is COCC1CCN(C(=O)c2ccccc2S(N)(=O)=O)C1.
What is the InChIKey of 2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The InChIKey is OHDUMPIALNITBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-19-9-10-6-7-15(8-10)13(16)11-4-2-3-5-12(11)20(14,17)18/h2-5,10H,6-9H2,1H3,(H2,14,17,18).
What are the key properties of 2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide has a molecular weight of 298.36 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 64598036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).