3-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide

C16H18N2O4S — CID 99297656

IUPAC3-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccco2)c1
InChIInChI=1S/C16H18N2O4S/c1-17-23(20,21)13-6-2-5-12(11-13)16(19)18-9-3-7-14(18)15-8-4-10-22-15/h2,4-6,8,10-11,14,17H,3,7,9H2,1H3/t14-/m0/s1
InChIKeyFJGFLVUYYJKXPF-AWEZNQCLSA-N
MW334.40 g/mol
LogP2.16
Rot. Bonds4

About 3-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide

3-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide (PubChem CID 99297656) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
PubChem CID99297656
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name3-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccco2)c1
InChIInChI=1S/C16H18N2O4S/c1-17-23(20,21)13-6-2-5-12(11-13)16(19)18-9-3-7-14(18)15-8-4-10-22-15/h2,4-6,8,10-11,14,17H,3,7,9H2,1H3/t14-/m0/s1
InChIKeyFJGFLVUYYJKXPF-AWEZNQCLSA-N
XLogP2.16
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 46421177
3-[(2S)-2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 26666637
[2-(furan-2-yl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 71989316
4-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 124701060
(4-ethylsulfonylphenyl)-[(2R)-2-(furan-2-yl)piperidin-1-yl]methanone
CID 95352268
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
(2,3-dimethyl-1H-indol-5-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 72898684
[2-(furan-2-yl)pyrrolidin-1-yl]-(5-methylsulfonylfuran-2-yl)methanone
CID 86960921
3-(2-phenylpyrrolidine-1-carbonyl)-N-prop-2-ynylbenzenesulfonamide
CID 51325401
[2-(furan-2-yl)azepan-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 70751382
[(2R)-2-(furan-2-yl)azepan-1-yl]-[3-(1-propan-2-ylimidazol-2-yl)phenyl]methanone
CID 125177371
3-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-N-methylbenzenesulfonamide
CID 94051447

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide (CID 99297656) is 3-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccco2)c1.
What is the InChIKey of 3-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide?
The InChIKey is FJGFLVUYYJKXPF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-17-23(20,21)13-6-2-5-12(11-13)16(19)18-9-3-7-14(18)15-8-4-10-22-15/h2,4-6,8,10-11,14,17H,3,7,9H2,1H3/t14-/m0/s1.
What are the key properties of 3-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide?
3-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 99297656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).